3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-
TL;DR: 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl- (CAS 947-82-0) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5-trimethyl-2-phenylpyrazol-3-one
Also Known As: 4,4,5-trimethyl-2-phenylpyrazol-3-one, 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-, 2,4-DIHYDRO-4,4,5-TRIMETHYL-2-PHENYL-3H-PYRAZOL-3-ONE, 2-Pyrazolin-5-one, 3,4,4-trimethyl-1-phenyl-, 3,4,4-Trimethyl-1-phenyl-1H-pyrazol-5(4H)-one
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 947-82-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1(C)C)C2=CC=CC=C2 |
| InChIKey | MZYISAKYPPUWJG-UHFFFAOYSA-N |
Product Overview
3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl- (CAS 947-82-0), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 4,4,5-trimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-
Property Insights of 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-. With a topological polar surface area (TPSA) of 32.7 Ų, 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-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-4,4,5-trimethyl-2-phenyl-?
The CAS number of 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl- is 947-82-0.
What is the molecular formula of 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-?
The molecular formula of 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl- is C12H14N2O.
What is the molecular weight of 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-?
The molecular weight of 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl- is 202.11 g/mol.
Where can I buy 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-?
You can request a quote for 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-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-4,4,5-trimethyl-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.