2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol

C13H12ClF3N2O — CID 82527513

IUPAC2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C13H12ClF3N2O/c1-12(2,20)10-7-18-19(11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7,20H,1-2H3
InChIKeyUJOCZYRLXGYIJY-UHFFFAOYSA-N
MW304.70 g/mol
LogP3.77
Rot. Bonds2

About 2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol

2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol (PubChem CID 82527513) has the molecular formula C13H12ClF3N2O and a molecular weight of 304.70 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
PubChem CID82527513
Molecular FormulaC13H12ClF3N2O
Molecular Weight304.70 g/mol
Exact Mass304.06
IUPAC Name2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C13H12ClF3N2O/c1-12(2,20)10-7-18-19(11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7,20H,1-2H3
InChIKeyUJOCZYRLXGYIJY-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
CID 82527591
4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole
CID 66438359
5-tert-butyl-1-(4-chlorophenyl)-4-methylpyrazole
CID 20982101
methyl N-[4-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]carbamate
CID 55804670
3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250293
1-(4-chlorophenyl)-N'-(2-methylbenzoyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 55454920
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122135515
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-methylpiperazine-1-carboxamide
CID 91507780
1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 11474632
2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528206
N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55455226
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 21105026

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol (CID 82527513) is 2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol is CC(C)(O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol?
The InChIKey is UJOCZYRLXGYIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O/c1-12(2,20)10-7-18-19(11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7,20H,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol?
2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol has a molecular weight of 304.70 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 82527513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).