3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
TL;DR: 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate (CAS 955975-45-8) is a chemical compound with molecular formula C12H13ClN4O2 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-3-ylmethyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate
Also Known As: 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate, pyridin-3-ylmethyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate, 2W-0234, (pyridin-3-yl)methyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate, (pyridin-3-yl)methylN-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
| Molecular Formula | C12H13ClN4O2 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.52562 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0727 |
| Heavy Atoms | 19 |
| Complexity | 582.91534 |
Chemical Identifiers
| CAS Number | 955975-45-8 |
|---|---|
| SMILES | CC1=NN(C(=C1NC(=O)OCC2=CN=CC=C2)Cl)C |
Product Overview
3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate (CAS 955975-45-8), with molecular formula C12H13ClN4O2 and molecular weight 280.07 g/mol. IUPAC: pyridin-3-ylmethyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate.
Chemical Property Profile of 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
Property Insights of 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
The XLogP value of 2.52562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate. Following Lipinski's Rule of Five, 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate 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 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
The CAS number of 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is 955975-45-8.
What is the molecular formula of 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
The molecular formula of 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is C12H13ClN4O2.
What is the molecular weight of 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
The molecular weight of 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is 280.07 g/mol.
Where can I buy 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
You can request a quote for 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-pyridinylmethyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.