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5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile
TL;DR: 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile (CAS 321533-96-4) is a chemical compound with molecular formula C9H10N6 and molecular weight 202.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-4-carbonitrile
Also Known As: 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile, 5-[2-(1H-1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-4-carbonitrile, 2G-016, 5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-4-carbonitrile, 5-[1-methyl-1-(1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile
| Molecular Formula | C9H10N6 |
|---|---|
| Molecular Weight | 202.10 g/mol |
| LogP | 0.65628 |
| Topological Polar Surface Area | 83.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.0967 |
| Heavy Atoms | 15 |
| Complexity | 486.90482 |
Chemical Identifiers
| CAS Number | 321533-96-4 |
|---|---|
| SMILES | CC(C)(C1=C(C=NN1)C#N)N2C=NC=N2 |
Product Overview
5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile (CAS 321533-96-4), with molecular formula C9H10N6 and molecular weight 202.10 g/mol. IUPAC: 5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-4-carbonitrile.
Chemical Property Profile of 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile
Property Insights of 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile
The XLogP value of 0.65628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile. The TPSA of 83.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile has 1 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 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile?
The CAS number of 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile is 321533-96-4.
What is the molecular formula of 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile is C9H10N6.
What is the molecular weight of 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile is 202.10 g/mol.
Where can I buy 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-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 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.