![1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]- structure](/static/products/1338/133863-83-9.webp)
1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]-
TL;DR: 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]- (CAS 133863-83-9) is a chemical compound with molecular formula C11H10N4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-benzylsulfanyl-1H-pyrazole-4-carbonitrile
Also Known As: 3-amino-5-benzylthio-4-cyanopyrazole, 3-Amino-5-(benzylthio)-1H-pyrazole-4-carbonitrile, 5-amino-3-benzylsulfanyl-1H-pyrazole-4-carbonitrile, 5-amino-3-(benzylsulfanyl)-1H-pyrazole-4-carbonitrile, 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]-
| Molecular Formula | C11H10N4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.15588 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.06262 |
| Heavy Atoms | 16 |
| Complexity | 512.526 |
Chemical Identifiers
| CAS Number | 133863-83-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NNC(=C2C#N)N |
Product Overview
1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]- (CAS 133863-83-9), with molecular formula C11H10N4S and molecular weight 230.06 g/mol. IUPAC: 5-amino-3-benzylsulfanyl-1H-pyrazole-4-carbonitrile.
Chemical Property Profile of 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]-
Property Insights of 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]-
The XLogP value of 2.15588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]-. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]-. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]- has 2 hydrogen bond donor(s) and 4 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 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]-?
The CAS number of 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]- is 133863-83-9.
What is the molecular formula of 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]-?
The molecular formula of 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]- is C11H10N4S.
What is the molecular weight of 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]-?
The molecular weight of 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]- is 230.06 g/mol.
Where can I buy 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]-?
You can request a quote for 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(phenylmethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.