3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl-
TL;DR: 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl- (CAS 50877-87-7) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1-phenylpyrazol-3-one
Also Known As: beta-Antipyrine, 3-Antipyrine, 1,3-dimethyl-2-phenylpyrazol-5-one, 1,3-Dimethyl-2-phenyl-1H-pyrazole-5(2H)-one, 2,5-dimethyl-1-phenylpyrazol-3-one
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 50877-87-7 |
|---|---|
| SMILES | CC1=CC(=O)N(N1C2=CC=CC=C2)C |
| InChIKey | XYZAGMNEGKHCLP-UHFFFAOYSA-N |
Product Overview
3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl- (CAS 50877-87-7), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 2,5-dimethyl-1-phenylpyrazol-3-one.
Chemical Property Profile of 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl-
Property Insights of 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl-. With a topological polar surface area (TPSA) of 23.6 Ų, 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-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, 1,2-dihydro-2,5-dimethyl-1-phenyl-?
The CAS number of 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl- is 50877-87-7.
What is the molecular formula of 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl-?
The molecular formula of 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl- is C11H12N2O.
What is the molecular weight of 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl-?
The molecular weight of 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl- is 188.09 g/mol.
Where can I buy 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl-?
You can request a quote for 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-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, 1,2-dihydro-2,5-dimethyl-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.