![methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate structure](/static/products/956/956049-45-9.png)
methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate
TL;DR: methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate (CAS 956049-45-9) is a chemical compound with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]benzoate
Also Known As: A3806/0161548, methyl 4-((1-isopropyl-1H-pyrazol-4-yl)carbamoyl)benzoate, methyl 4-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]benzoate, methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate, methyl 4-{[1-(propan-2-yl)-1H-pyrazol-4-yl]carbamoyl}benzoate
| Molecular Formula | C15H17N3O3 |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 2.5029 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.12698 |
| Heavy Atoms | 21 |
| Complexity | 644.43835 |
Chemical Identifiers
| CAS Number | 956049-45-9 |
|---|---|
| SMILES | CC(C)N1C=C(C=N1)NC(=O)C2=CC=C(C=C2)C(=O)OC |
Product Overview
methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate (CAS 956049-45-9), with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol. IUPAC: methyl 4-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]benzoate.
Chemical Property Profile of methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate
Property Insights of methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate
The XLogP value of 2.5029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate. Following Lipinski's Rule of Five, methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate 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 methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate?
The CAS number of methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate is 956049-45-9.
What is the molecular formula of methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate?
The molecular formula of methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate is C15H17N3O3.
What is the molecular weight of methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate?
The molecular weight of methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate is 287.13 g/mol.
Where can I buy methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate?
You can request a quote for methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{N-[1-(methylethyl)pyrazol-4-yl]carbamoyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.