1H-Pyrazole, 1-benzoyl-3-methyl-
TL;DR: 1H-Pyrazole, 1-benzoyl-3-methyl- (CAS 69413-11-2) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylpyrazol-1-yl)-phenylmethanone
Also Known As: 1-benzoyl-3-methylpyrazole, 1H-Pyrazole, 1-benzoyl-3-methyl-, (3-methylpyrazol-1-yl)-phenylmethanone, (3-methylpyrazol-1-yl)-phenyl-methanone, (3-Methyl-1H-pyrazol-1-yl)(phenyl)methanone
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.88002 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 445.32092 |
Chemical Identifiers
| CAS Number | 69413-11-2 |
|---|---|
| SMILES | CC1=NN(C=C1)C(=O)C2=CC=CC=C2 |
Product Overview
1H-Pyrazole, 1-benzoyl-3-methyl- (CAS 69413-11-2), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: (3-methylpyrazol-1-yl)-phenylmethanone.
Chemical Property Profile of 1H-Pyrazole, 1-benzoyl-3-methyl-
Property Insights of 1H-Pyrazole, 1-benzoyl-3-methyl-
The XLogP value of 1.88002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 1-benzoyl-3-methyl-. With a topological polar surface area (TPSA) of 34.89 Ų, 1H-Pyrazole, 1-benzoyl-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole, 1-benzoyl-3-methyl- 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 1H-Pyrazole, 1-benzoyl-3-methyl-?
The CAS number of 1H-Pyrazole, 1-benzoyl-3-methyl- is 69413-11-2.
What is the molecular formula of 1H-Pyrazole, 1-benzoyl-3-methyl-?
The molecular formula of 1H-Pyrazole, 1-benzoyl-3-methyl- is C11H10N2O.
What is the molecular weight of 1H-Pyrazole, 1-benzoyl-3-methyl-?
The molecular weight of 1H-Pyrazole, 1-benzoyl-3-methyl- is 186.08 g/mol.
Where can I buy 1H-Pyrazole, 1-benzoyl-3-methyl-?
You can request a quote for 1H-Pyrazole, 1-benzoyl-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole, 1-benzoyl-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole, 1-benzoyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.