3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-
TL;DR: 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl- (CAS 34347-81-4) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-phenyl-4H-pyrazol-3-one
Also Known As: 1-Methyl-3-phenyl-1H-pyrazol-5(4H)-one, 2-methyl-5-phenyl-4H-pyrazol-3-one, 1-Methyl-3-phenyl-2-pyrazoline-5-one, ChemDiv3_014289, 2-Methyl-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C10H10N2O |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.07932 |
| Heavy Atoms | 13 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 34347-81-4 |
|---|---|
| SMILES | CN1C(=O)CC(=N1)C2=CC=CC=C2 |
| InChIKey | NIXIJMXBXHWPEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl- (CAS 34347-81-4), with molecular formula C10H10N2O and molecular weight 174.08 g/mol. IUPAC: 2-methyl-5-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-
Property Insights of 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-. With a topological polar surface area (TPSA) of 32.7 Ų, 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl- 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 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-?
The CAS number of 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl- is 34347-81-4.
What is the molecular formula of 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-?
The molecular formula of 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl- is C10H10N2O.
What is the molecular weight of 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-?
The molecular weight of 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl- is 174.08 g/mol.
Where can I buy 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-?
You can request a quote for 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.