[email protected]
CAS 384835-92-1 ethyl 5-amino-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate molecular structure lightbox
CAS RN: 384835-92-1

ethyl 5-amino-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250224 1g In stock Shanghai Inquiry
Batchno.20260614 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250304 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS384835-92-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

384835-92-1 / ethyl 5-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate

Standard CAS: 384835-92-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
384835-92-1
Multi CAS
No
Molecular Formula
C14H17N3O3
Molecular Weight
275.300000
Exact Mass
275.126991
InChI
InChI=1S/C14H17N3O3/c1-3-20-14(18)12-8-16-17(13(12)15)9-10-4-6-11(19-2)7-5-10/h4-8H,3,9,15H2,1-2H3
InChIKey
DDLNBTLDLFUKNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
74.69
TPSA
79.37

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
2.2
Consensus LogP
1.8
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us