4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
TL;DR: 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CAS 302561-06-4) is a chemical compound with molecular formula C13H14ClN3O and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
Also Known As: ChemDiv3_004015, 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide, IDI1_021925, BAS 03655672, 4-chloro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzamide
| Molecular Formula | C13H14ClN3O |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.08255 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 302561-06-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)NC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | SHXIMZBLLKKQHA-UHFFFAOYSA-N |
Product Overview
4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CAS 302561-06-4), with molecular formula C13H14ClN3O and molecular weight 263.08 g/mol. IUPAC: 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
Chemical Property Profile of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
Property Insights of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide. With a topological polar surface area (TPSA) of 46.9 Ų, 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has 1 hydrogen bond donor(s) and 2 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 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The CAS number of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is 302561-06-4.
What is the molecular formula of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The molecular formula of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is C13H14ClN3O.
What is the molecular weight of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The molecular weight of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is 263.08 g/mol.
Where can I buy 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
You can request a quote for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.