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CAS 1199590-80-1 ethyl 1-(4-Methoxybenzyl)-1H-pyrazole-4-carboxylate molecular structure lightbox
CAS RN: 1199590-80-1

ethyl 1-(4-Methoxybenzyl)-1H-pyrazole-4-carboxylate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260429 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250118 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260515 5g Out of stock Inquiry
  • Product code: SSC-020722
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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: 1g
  • 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 1199590-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1199590-80-1 / ethyl 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate

ethyl 1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate | MFCD13184319 | ethyl 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate

Standard CAS: 1199590-80-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1199590-80-1
Multi CAS
No
Molecular Formula
C14H16N2O3
Molecular Weight
260.290000
Exact Mass
260.116092
SMILES
CCOC(=O)C1=CN(N=C1)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C14H16N2O3/c1-3-19-14(17)12-8-15-16(10-12)9-11-4-6-13(18-2)7-5-11/h4-8,10H,3,9H2,1-2H3
InChIKey
KMKGIDHKTPDZRT-UHFFFAOYSA-N
Synonyms
ethyl 1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate MFCD13184319 ethyl 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate ethyl 1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylate KMKGIDHKTPDZRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
70.28
TPSA
53.35

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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