[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone

C17H14F3N3O2 — CID 3107169

IUPAC[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2N=C(C(F)(F)F)CC2(O)c2ccncc2)cc1
InChIInChI=1S/C17H14F3N3O2/c1-11-2-4-12(5-3-11)15(24)23-16(25,13-6-8-21-9-7-13)10-14(22-23)17(18,19)20/h2-9,25H,10H2,1H3
InChIKeyTUHVTZXZDLAJQI-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.00
Rot. Bonds2

About [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone

[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone (PubChem CID 3107169) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
PubChem CID3107169
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2N=C(C(F)(F)F)CC2(O)c2ccncc2)cc1
InChIInChI=1S/C17H14F3N3O2/c1-11-2-4-12(5-3-11)15(24)23-16(25,13-6-8-21-9-7-13)10-14(22-23)17(18,19)20/h2-9,25H,10H2,1H3
InChIKeyTUHVTZXZDLAJQI-UHFFFAOYSA-N
XLogP3.00
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone (CID 3107169) is [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2N=C(C(F)(F)F)CC2(O)c2ccncc2)cc1.
What is the InChIKey of [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone?
The InChIKey is TUHVTZXZDLAJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-11-2-4-12(5-3-11)15(24)23-16(25,13-6-8-21-9-7-13)10-14(22-23)17(18,19)20/h2-9,25H,10H2,1H3.
What are the key properties of [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone?
[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone has a molecular weight of 349.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 3107169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).