5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide
TL;DR: 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide (CAS 106898-44-6) is a chemical compound with molecular formula C11H11ClN4O and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[(4-chlorophenyl)methyl]pyrazole-4-carboxamide
Also Known As: BAS 09590044, 1-(4-chlorobenzyl)-5-amino-1H-pyrazole-4-carboxamide, 5-amino-1-[(4-chlorophenyl)methyl]pyrazole-4-carboxamide, 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide, 5-amino-1-(4-chlorobenzyl)-1H-pyrazole-4-carboxamide
| Molecular Formula | C11H11ClN4O |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.06213 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 106898-44-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=C(C=N2)C(=O)N)N)Cl |
| InChIKey | MZEXRCSVJIGQQE-UHFFFAOYSA-N |
Product Overview
5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide (CAS 106898-44-6), with molecular formula C11H11ClN4O and molecular weight 250.06 g/mol. IUPAC: 5-amino-1-[(4-chlorophenyl)methyl]pyrazole-4-carboxamide.
Chemical Property Profile of 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide
Property Insights of 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide. Following Lipinski's Rule of Five, 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide?
The CAS number of 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide is 106898-44-6.
What is the molecular formula of 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide?
The molecular formula of 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide is C11H11ClN4O.
What is the molecular weight of 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide?
The molecular weight of 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide is 250.06 g/mol.
Where can I buy 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide?
You can request a quote for 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1-(4-chloro-benzyl)-1H-pyrazole-4-carboxylic acid amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.