3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl-
TL;DR: 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl- (CAS 6401-97-4) is a chemical compound with molecular formula C10H11N3 and molecular weight 173.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-4H-pyrazol-3-imine
Also Known As: 5-methyl-2-phenyl-4H-pyrazol-3-imine, 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl-, 2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-imine, EC 229-014-7, 3-Methyl-5-imino-1-phenyl-2-pyrazoline
| Molecular Formula | C10H11N3 |
|---|---|
| Molecular Weight | 173.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.09529 |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 6401-97-4 |
|---|---|
| SMILES | CC1=NN(C(=N)C1)C2=CC=CC=C2 |
| InChIKey | VOQQGERWJRIHIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl- (CAS 6401-97-4), with molecular formula C10H11N3 and molecular weight 173.10 g/mol. IUPAC: 5-methyl-2-phenyl-4H-pyrazol-3-imine.
Chemical Property Profile of 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl-
Property Insights of 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl-. With a topological polar surface area (TPSA) of 39.5 Ų, 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl- has 1 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-imine, 2,4-dihydro-5-methyl-2-phenyl-?
The CAS number of 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl- is 6401-97-4.
What is the molecular formula of 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl-?
The molecular formula of 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl- is C10H11N3.
What is the molecular weight of 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl-?
The molecular weight of 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl- is 173.10 g/mol.
Where can I buy 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl-?
You can request a quote for 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-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-imine, 2,4-dihydro-5-methyl-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.