1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile
TL;DR: 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile (CAS 898128-03-5) is a chemical compound with molecular formula C16H19N3 and molecular weight 253.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-phenyl-3,4-dihydropyrazol-2-yl)cyclohexane-1-carbonitrile
Also Known As: 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile, A4020/0171468, 1-(5-phenyl-3,4-dihydropyrazol-2-yl)cyclohexane-1-carbonitrile, 1-(3-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)cyclohexane-1-carbonitrile
| Molecular Formula | C16H19N3 |
|---|---|
| Molecular Weight | 253.16 g/mol |
| LogP | 3.32288 |
| Topological Polar Surface Area | 39.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.1579 |
| Heavy Atoms | 19 |
| Complexity | 506.54562 |
Chemical Identifiers
| CAS Number | 898128-03-5 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)N2CCC(=N2)C3=CC=CC=C3 |
Product Overview
1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile (CAS 898128-03-5), with molecular formula C16H19N3 and molecular weight 253.16 g/mol. IUPAC: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)cyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile
Property Insights of 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile
The XLogP value of 3.32288 indicates that 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile 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-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile 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-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile?
The CAS number of 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile is 898128-03-5.
What is the molecular formula of 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile?
The molecular formula of 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile is C16H19N3.
What is the molecular weight of 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile?
The molecular weight of 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile is 253.16 g/mol.
Where can I buy 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile?
You can request a quote for 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.