3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
TL;DR: 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile (CAS 671191-90-5) is a chemical compound with molecular formula C10H7ClN4 and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-(2-chlorophenyl)pyrazole-4-carbonitrile
Also Known As: Maybridge1_003067, 3-amino-1-(2-chlorophenyl)pyrazole-4-carbonitrile, 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C10H7ClN4 |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 1.97958 |
| Topological Polar Surface Area | 67.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.03592 |
| Heavy Atoms | 15 |
| Complexity | 538.5957 |
Chemical Identifiers
| CAS Number | 671191-90-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C=C(C(=N2)N)C#N)Cl |
Product Overview
3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile (CAS 671191-90-5), with molecular formula C10H7ClN4 and molecular weight 218.04 g/mol. IUPAC: 3-amino-1-(2-chlorophenyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
Property Insights of 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
The XLogP value of 1.97958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile. The TPSA of 67.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile has 1 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 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile?
The CAS number of 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile is 671191-90-5.
What is the molecular formula of 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile is C10H7ClN4.
What is the molecular weight of 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile is 218.04 g/mol.
Where can I buy 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.