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

C16H19F3N2O3 — CID 3157882

IUPAC3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one
SMILESCC(C)C1=NN(C(=O)CCc2ccccc2O)C(O)(C(F)(F)F)C1
InChIInChI=1S/C16H19F3N2O3/c1-10(2)12-9-15(24,16(17,18)19)21(20-12)14(23)8-7-11-5-3-4-6-13(11)22/h3-6,10,22,24H,7-9H2,1-2H3
InChIKeyYGIIOCNYCZFJRV-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.82
Rot. Bonds4

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

3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one (PubChem CID 3157882) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one
PubChem CID3157882
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one
SMILESCC(C)C1=NN(C(=O)CCc2ccccc2O)C(O)(C(F)(F)F)C1
InChIInChI=1S/C16H19F3N2O3/c1-10(2)12-9-15(24,16(17,18)19)21(20-12)14(23)8-7-11-5-3-4-6-13(11)22/h3-6,10,22,24H,7-9H2,1-2H3
InChIKeyYGIIOCNYCZFJRV-UHFFFAOYSA-N
XLogP2.82
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one 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 3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one?
The IUPAC name of 3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one (CID 3157882) is 3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one is CC(C)C1=NN(C(=O)CCc2ccccc2O)C(O)(C(F)(F)F)C1.
What is the InChIKey of 3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one?
The InChIKey is YGIIOCNYCZFJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-10(2)12-9-15(24,16(17,18)19)21(20-12)14(23)8-7-11-5-3-4-6-13(11)22/h3-6,10,22,24H,7-9H2,1-2H3.
What are the key properties of 3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one?
3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one has a molecular weight of 344.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one is sourced from PubChem (CID 3157882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).