[5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone

C12H8F6N2O3 — CID 4022665

IUPAC[5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1N=C(C(F)(F)F)CC1(O)C(F)(F)F
InChIInChI=1S/C12H8F6N2O3/c13-11(14,15)8-5-10(23,12(16,17)18)20(19-8)9(22)6-3-1-2-4-7(6)21/h1-4,21,23H,5H2
InChIKeyYBEFJPHRILSGJN-UHFFFAOYSA-N
MW342.20 g/mol
LogP2.41
Rot. Bonds1

About [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone

[5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 4022665) has the molecular formula C12H8F6N2O3 and a molecular weight of 342.20 g/mol. Its IUPAC name is [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID4022665
Molecular FormulaC12H8F6N2O3
Molecular Weight342.20 g/mol
Exact Mass342.04
IUPAC Name[5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1N=C(C(F)(F)F)CC1(O)C(F)(F)F
InChIInChI=1S/C12H8F6N2O3/c13-11(14,15)8-5-10(23,12(16,17)18)20(19-8)9(22)6-3-1-2-4-7(6)21/h1-4,21,23H,5H2
InChIKeyYBEFJPHRILSGJN-UHFFFAOYSA-N
XLogP2.41
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)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-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone (CID 4022665) is [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)N1N=C(C(F)(F)F)CC1(O)C(F)(F)F.
What is the InChIKey of [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is YBEFJPHRILSGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N2O3/c13-11(14,15)8-5-10(23,12(16,17)18)20(19-8)9(22)6-3-1-2-4-7(6)21/h1-4,21,23H,5H2.
What are the key properties of [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone?
[5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 342.20 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 4022665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).