1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile
TL;DR: 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile (CAS 5702-70-5) is a chemical compound with molecular formula C12H11N3O and molecular weight 213.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile
Also Known As: 4-cyano-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
| Molecular Formula | C12H11N3O |
|---|---|
| Molecular Weight | 213.09 g/mol |
| LogP | 1.3561 |
| Topological Polar Surface Area | 50.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.09021 |
| Heavy Atoms | 16 |
| Complexity | 614.1939 |
Chemical Identifiers
| CAS Number | 5702-70-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C#N |
Product Overview
1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile (CAS 5702-70-5), with molecular formula C12H11N3O and molecular weight 213.09 g/mol. IUPAC: 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile.
Chemical Property Profile of 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile
Property Insights of 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile
The XLogP value of 1.3561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile. With a topological polar surface area (TPSA) of 50.72 Ų, 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile 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 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile?
The CAS number of 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile is 5702-70-5.
What is the molecular formula of 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile?
The molecular formula of 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile is C12H11N3O.
What is the molecular weight of 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile?
The molecular weight of 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile is 213.09 g/mol.
Where can I buy 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile?
You can request a quote for 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.