1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile
TL;DR: 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile (CAS 3426-35-5) is a chemical compound with molecular formula C16H13N3 and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile
Also Known As: 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile, 1,3-diphenyl-5-cyano-2-pyrazoline, 1,3-diphenyl-2-pyrazoline-5-carbonitrile, 2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile, BIM-0004836.P001
| Molecular Formula | C16H13N3 |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 3.19318 |
| Topological Polar Surface Area | 39.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.11095 |
| Heavy Atoms | 19 |
| Complexity | 626.0485 |
Chemical Identifiers
| CAS Number | 3426-35-5 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C#N |
Product Overview
1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile (CAS 3426-35-5), with molecular formula C16H13N3 and molecular weight 247.11 g/mol. IUPAC: 2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile.
Chemical Property Profile of 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile
Property Insights of 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile
The XLogP value of 3.19318 indicates that 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.39 Ų, 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile has 0 hydrogen bond donor(s) and 3 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 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile?
The CAS number of 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile is 3426-35-5.
What is the molecular formula of 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile?
The molecular formula of 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile is C16H13N3.
What is the molecular weight of 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile?
The molecular weight of 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile is 247.11 g/mol.
Where can I buy 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile?
You can request a quote for 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.