1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate
TL;DR: 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate (CAS 955975-72-1) is a chemical compound with molecular formula C13H12ClN7O2 and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(6-chloro-2-pyridinyl)-4-(1,2,4-triazol-1-yl)pyrazol-5-yl] N,N-dimethylcarbamate
Also Known As: 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate, 6R-0827, [2-(6-chloropyridin-2-yl)-4-(1,2,4-triazol-1-yl)pyrazol-3-yl] N,N-dimethylcarbamate, 1-(6-chloropyridin-2-yl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate, 1-(6-chloropyridin-2-yl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-ylN,N-dimethylcarbamate
| Molecular Formula | C13H12ClN7O2 |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 1.5618 |
| Topological Polar Surface Area | 90.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.0741 |
| Heavy Atoms | 23 |
| Complexity | 828.72797 |
Chemical Identifiers
| CAS Number | 955975-72-1 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C(C=NN1C2=NC(=CC=C2)Cl)N3C=NC=N3 |
Product Overview
1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate (CAS 955975-72-1), with molecular formula C13H12ClN7O2 and molecular weight 333.07 g/mol. IUPAC: [1-(6-chloro-2-pyridinyl)-4-(1,2,4-triazol-1-yl)pyrazol-5-yl] N,N-dimethylcarbamate.
Chemical Property Profile of 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate
Property Insights of 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate
The XLogP value of 1.5618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate. The TPSA of 90.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate. Following Lipinski's Rule of Five, 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate has 0 hydrogen bond donor(s) and 6 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 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate?
The CAS number of 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate is 955975-72-1.
What is the molecular formula of 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate?
The molecular formula of 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate is C13H12ClN7O2.
What is the molecular weight of 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate?
The molecular weight of 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate is 333.07 g/mol.
Where can I buy 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate?
You can request a quote for 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-chloro-2-pyridinyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.