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CAS 1185329-96-7 1H-Pyrazole-1-acetamide, N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-[(1-oxo-3-phenoxypropyl)amino]- molecular structure lightbox
CAS RN: 1185329-96-7

1H-Pyrazole-1-acetamide, N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-[(1-oxo-3-phenoxypropyl)amino]-

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250923 5mg / 25mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250112 100mg In stock Shanghai Inquiry
Batchno.20250809 250mg In stock Shanghai Inquiry
Batchno.20260617 25mg In stock Shanghai Inquiry
Batchno.20250729 50mg In stock Shanghai Inquiry
  • Product code: SSC-018391
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1185329-96-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1185329-96-7 / N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide

N-[1-({methyl[2-(4-methylphenoxy)ethyl]carbamoyl}methyl)-1H-pyrazol-4-yl]-3-phenoxypropanamide | N-(1-((methyl(2-(4-methylphenoxy)ethyl)carbamoyl)methyl)-1H-pyrazol-4-yl)-3-phenoxypropanamide | RefChem:823451

Standard CAS: 1185329-96-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1185329-96-7
Multi CAS
No
Molecular Formula
C24H28N4O4
Molecular Weight
436.500000
Exact Mass
436.211055
SMILES
CC1=CC=C(C=C1)OCCN(C)C(=O)CN2C=C(C=N2)NC(=O)CCOC3=CC=CC=C3
InChI
InChI=1S/C24H28N4O4/c1-19-8-10-22(11-9-19)32-15-13-27(2)24(30)18-28-17-20(16-25-28)26-23(29)12-14-31-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,26,29)
InChIKey
ZVSKMVAWWBSNOY-UHFFFAOYSA-N
Synonyms
N-[1-({methyl[2-(4-methylphenoxy)ethyl]carbamoyl}methyl)-1H-pyrazol-4-yl]-3-phenoxypropanamide N-(1-((methyl(2-(4-methylphenoxy)ethyl)carbamoyl)methyl)-1H-pyrazol-4-yl)-3-phenoxypropanamide RefChem:823451 840-577-3 IXA4

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.29
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
1
Molar refractivity
121.72
TPSA
85.69

LogP / Solubility

WLOGP
3.14
MLOGP
2.79
XLogP3
2.7
Consensus LogP
2.88
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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