1-(3-Methylpyrazol-1-yl)-2-phenylethanone
TL;DR: 1-(3-Methylpyrazol-1-yl)-2-phenylethanone (CAS 511517-02-5) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylpyrazol-1-yl)-2-phenylethanone
Also Known As: 1-(3-methylpyrazol-1-yl)-2-phenylethanone, 1-(3-methylpyrazol-1-yl)-2-phenyl-ethanone, 1H-Pyrazole, 3-methyl-1-(phenylacetyl)- (9CI), 1-(3-methyl-1H-pyrazol-1-yl)-2-phenylethan-1-one
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 2.07442 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 459.48416 |
Chemical Identifiers
| CAS Number | 511517-02-5 |
|---|---|
| SMILES | CC1=NN(C=C1)C(=O)CC2=CC=CC=C2 |
Product Overview
1-(3-Methylpyrazol-1-yl)-2-phenylethanone (CAS 511517-02-5), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 1-(3-methylpyrazol-1-yl)-2-phenylethanone.
Chemical Property Profile of 1-(3-Methylpyrazol-1-yl)-2-phenylethanone
Property Insights of 1-(3-Methylpyrazol-1-yl)-2-phenylethanone
The XLogP value of 2.07442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylpyrazol-1-yl)-2-phenylethanone. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(3-Methylpyrazol-1-yl)-2-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylpyrazol-1-yl)-2-phenylethanone 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-(3-Methylpyrazol-1-yl)-2-phenylethanone?
The CAS number of 1-(3-Methylpyrazol-1-yl)-2-phenylethanone is 511517-02-5.
What is the molecular formula of 1-(3-Methylpyrazol-1-yl)-2-phenylethanone?
The molecular formula of 1-(3-Methylpyrazol-1-yl)-2-phenylethanone is C12H12N2O.
What is the molecular weight of 1-(3-Methylpyrazol-1-yl)-2-phenylethanone?
The molecular weight of 1-(3-Methylpyrazol-1-yl)-2-phenylethanone is 200.09 g/mol.
Where can I buy 1-(3-Methylpyrazol-1-yl)-2-phenylethanone?
You can request a quote for 1-(3-Methylpyrazol-1-yl)-2-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylpyrazol-1-yl)-2-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylpyrazol-1-yl)-2-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.