2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol

C15H17F3N2O — CID 82527591

IUPAC2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
SMILESCc1cc(C)cc(-n2ncc(C(C)(C)O)c2C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O/c1-9-5-10(2)7-11(6-9)20-13(15(16,17)18)12(8-19-20)14(3,4)21/h5-8,21H,1-4H3
InChIKeyHIKKQDJBOXWOBH-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.74
Rot. Bonds2

About 2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol

2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol (PubChem CID 82527591) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
PubChem CID82527591
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
SMILESCc1cc(C)cc(-n2ncc(C(C)(C)O)c2C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O/c1-9-5-10(2)7-11(6-9)20-13(15(16,17)18)12(8-19-20)14(3,4)21/h5-8,21H,1-4H3
InChIKeyHIKKQDJBOXWOBH-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
CID 82527513
2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528554
2-[1-(3,5-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528188
2-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 82527752
2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528206
4-(chloromethyl)-1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole
CID 66436395
2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528117
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82527913
1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 82527601
4-(chloromethyl)-1-(2,4-dimethylphenyl)-5-(trifluoromethyl)pyrazole
CID 66437277
2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol
CID 69354935
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 30766526

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol (CID 82527591) is 2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol is Cc1cc(C)cc(-n2ncc(C(C)(C)O)c2C(F)(F)F)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol?
The InChIKey is HIKKQDJBOXWOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-9-5-10(2)7-11(6-9)20-13(15(16,17)18)12(8-19-20)14(3,4)21/h5-8,21H,1-4H3.
What are the key properties of 2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol?
2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol has a molecular weight of 298.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 82527591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).