5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate
TL;DR: 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate (CAS 680579-30-0) is a chemical compound with molecular formula C16H14ClN3O2 and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-phenyl-1,5-dihydropyrazol-3-yl) 2-chloropyridine-3-carboxylate
Also Known As: 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate, (5-methyl-2-phenyl-1,5-dihydropyrazol-3-yl) 2-chloropyridine-3-carboxylate, 5-methyl-2-phenyl-1,5-dihydropyrazol-3-yl 2-chloropyridine-3-carboxylate, 5-Methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloropyridine-3-carboxylate
| Molecular Formula | C16H14ClN3O2 |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 3.1465 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.07745 |
| Heavy Atoms | 22 |
| Complexity | 718.3407 |
Chemical Identifiers
| CAS Number | 680579-30-0 |
|---|---|
| SMILES | CC1C=C(N(N1)C2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)Cl |
Product Overview
5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate (CAS 680579-30-0), with molecular formula C16H14ClN3O2 and molecular weight 315.08 g/mol. IUPAC: (5-methyl-2-phenyl-1,5-dihydropyrazol-3-yl) 2-chloropyridine-3-carboxylate.
Chemical Property Profile of 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate
Property Insights of 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate
The XLogP value of 3.1465 indicates that 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate has 1 hydrogen bond donor(s) and 5 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 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate?
The CAS number of 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate is 680579-30-0.
What is the molecular formula of 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate?
The molecular formula of 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate is C16H14ClN3O2.
What is the molecular weight of 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate?
The molecular weight of 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate is 315.08 g/mol.
Where can I buy 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate?
You can request a quote for 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.