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CAS 15001-11-3 ETHYL 5-AMINO-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 15001-11-3

ETHYL 5-AMINO-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260529 1g / 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-059976
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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: 10g
  • 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 15001-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

15001-11-3 / ethyl 5-amino-1-(4-methylphenyl)pyrazole-4-carboxylate

Standard CAS: 15001-11-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15001-11-3
Multi CAS
No
Molecular Formula
C13H15N3O2
Molecular Weight
245.280000
Exact Mass
245.116427
SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C)N
InChI
InChI=1S/C13H15N3O2/c1-3-18-13(17)11-8-15-16(12(11)14)10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3
InChIKey
HYLAFESEWXPMFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.67
TPSA
70.14

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
2.7
Consensus LogP
2.12
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

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

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