[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone

C14H12ClF3N2O2 — CID 4577003

IUPAC[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C14H12ClF3N2O2/c15-10-5-3-8(4-6-10)11-7-13(22,14(16,17)18)20(19-11)12(21)9-1-2-9/h3-6,9,22H,1-2,7H2
InChIKeyYFOWDVQUSHNBOH-UHFFFAOYSA-N
MW332.71 g/mol
LogP2.94
Rot. Bonds2

About [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone

[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone (PubChem CID 4577003) has the molecular formula C14H12ClF3N2O2 and a molecular weight of 332.71 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone
PubChem CID4577003
Molecular FormulaC14H12ClF3N2O2
Molecular Weight332.71 g/mol
Exact Mass332.05
IUPAC Name[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C14H12ClF3N2O2/c15-10-5-3-8(4-6-10)11-7-13(22,14(16,17)18)20(19-11)12(21)9-1-2-9/h3-6,9,22H,1-2,7H2
InChIKeyYFOWDVQUSHNBOH-UHFFFAOYSA-N
XLogP2.94
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

cyclopropyl[5-hydroxy-5-(pentafluoroethyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
CID 3409093
cyclopropyl[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
CID 3147074
Cyclopropyl-[3-(4-fluoro-phenyl)-5-hydroxy-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl]-methanone
CID 3148316
1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methylpropan-1-one
CID 2869417
3-(4-chlorophenyl)-1-(3-phenylpropanoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2884538
3-(4-chlorophenyl)-1-(phenylacetyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2884596
3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
CID 2921719
1-[3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 4074376
2-(4-chlorophenyl)-1-[5-hydroxy-3-(2-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 145960508
1-[3-(3-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 145962327
2-(4-chlorophenyl)-1-[5-hydroxy-3-(3-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 145962595
1-[3-(2-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 145962607

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone (CID 4577003) is [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F.
What is the InChIKey of [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone?
The InChIKey is YFOWDVQUSHNBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2/c15-10-5-3-8(4-6-10)11-7-13(22,14(16,17)18)20(19-11)12(21)9-1-2-9/h3-6,9,22H,1-2,7H2.
What are the key properties of [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone?
[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone has a molecular weight of 332.71 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 4577003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).