3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 354768-28-8) is a chemical compound with molecular formula C14H16F3N3O2 and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
Also Known As: AO-081/13878592, 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, [5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone, [5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](pyridin-4-yl)methanone, 5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)(2-pyrazolinyl) 4-pyridyl keto ne
| Molecular Formula | C14H16F3N3O2 |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 2.5805 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.11948 |
| Heavy Atoms | 22 |
| Complexity | 586.7459 |
Chemical Identifiers
| CAS Number | 354768-28-8 |
|---|---|
| SMILES | CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=NC=C2 |
Product Overview
3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 354768-28-8), with molecular formula C14H16F3N3O2 and molecular weight 315.12 g/mol. IUPAC: [5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 2.5805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol. The TPSA of 65.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 4 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 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 354768-28-8.
What is the molecular formula of 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is C14H16F3N3O2.
What is the molecular weight of 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 315.12 g/mol.
Where can I buy 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-isobutyl-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.