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

C15H17F3N2O3 — CID 3147046

IUPAC[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone
SMILESCC(C)CC1=NN(C(=O)c2ccc(O)cc2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C15H17F3N2O3/c1-9(2)7-11-8-14(23,15(16,17)18)20(19-11)13(22)10-3-5-12(21)6-4-10/h3-6,9,21,23H,7-8H2,1-2H3
InChIKeyLVYSLQPUOCCFIA-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.89
Rot. Bonds3

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

[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone (PubChem CID 3147046) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is [5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone
PubChem CID3147046
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone
SMILESCC(C)CC1=NN(C(=O)c2ccc(O)cc2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C15H17F3N2O3/c1-9(2)7-11-8-14(23,15(16,17)18)20(19-11)13(22)10-3-5-12(21)6-4-10/h3-6,9,21,23H,7-8H2,1-2H3
InChIKeyLVYSLQPUOCCFIA-UHFFFAOYSA-N
XLogP2.89
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-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-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone (CID 3147046) is [5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone is CC(C)CC1=NN(C(=O)c2ccc(O)cc2)C(O)(C(F)(F)F)C1.
What is the InChIKey of [5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is LVYSLQPUOCCFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-9(2)7-11-8-14(23,15(16,17)18)20(19-11)13(22)10-3-5-12(21)6-4-10/h3-6,9,21,23H,7-8H2,1-2H3.
What are the key properties of [5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone?
[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 330.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 3147046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).