1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole
TL;DR: 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole (CAS 69413-16-7) is a chemical compound with molecular formula C11H9ClN2O and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-(3-methylpyrazol-1-yl)methanone
Also Known As: 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole, (4-chlorophenyl)-(3-methylpyrazol-1-yl)methanone, 4-chlorophenyl 3-methylpyrazolyl ketone, VU0048323-1, AN-329/41689927
| Molecular Formula | C11H9ClN2O |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 2.53342 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.04034 |
| Heavy Atoms | 15 |
| Complexity | 487.54395 |
Chemical Identifiers
| CAS Number | 69413-16-7 |
|---|---|
| SMILES | CC1=NN(C=C1)C(=O)C2=CC=C(C=C2)Cl |
Product Overview
1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole (CAS 69413-16-7), with molecular formula C11H9ClN2O and molecular weight 220.04 g/mol. IUPAC: (4-chlorophenyl)-(3-methylpyrazol-1-yl)methanone.
Chemical Property Profile of 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole
Property Insights of 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole
The XLogP value of 2.53342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole has 0 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 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole?
The CAS number of 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole is 69413-16-7.
What is the molecular formula of 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole?
The molecular formula of 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole is C11H9ClN2O.
What is the molecular weight of 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole?
The molecular weight of 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole is 220.04 g/mol.
Where can I buy 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole?
You can request a quote for 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzoyl)-3-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.