1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol

C13H13ClF3N3O — CID 60899820

IUPAC1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1c(Cl)cccc1C(F)(F)F)Cn1cccn1
InChIInChI=1S/C13H13ClF3N3O/c14-11-4-1-3-10(13(15,16)17)12(11)18-7-9(21)8-20-6-2-5-19-20/h1-6,9,18,21H,7-8H2
InChIKeyILUZTXWAZGVJBQ-UHFFFAOYSA-N
MW319.71 g/mol
LogP3.03
Rot. Bonds5

About 1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol

1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 60899820) has the molecular formula C13H13ClF3N3O and a molecular weight of 319.71 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID60899820
Molecular FormulaC13H13ClF3N3O
Molecular Weight319.71 g/mol
Exact Mass319.07
IUPAC Name1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1c(Cl)cccc1C(F)(F)F)Cn1cccn1
InChIInChI=1S/C13H13ClF3N3O/c14-11-4-1-3-10(13(15,16)17)12(11)18-7-9(21)8-20-6-2-5-19-20/h1-6,9,18,21H,7-8H2
InChIKeyILUZTXWAZGVJBQ-UHFFFAOYSA-N
XLogP3.03
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol
CID 63931718
1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60897345
1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899299
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952
1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899821
1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 55132052
1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 116783900
2-chloro-N-(2,2-diethoxyethyl)-6-(trifluoromethyl)aniline
CID 81094009
2-chloro-N-(2-methylpentyl)-6-(trifluoromethyl)aniline
CID 43121811
1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 60897534
2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline
CID 43121812
2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline
CID 114554917

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol (CID 60899820) is 1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol is OC(CNc1c(Cl)cccc1C(F)(F)F)Cn1cccn1.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is ILUZTXWAZGVJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O/c14-11-4-1-3-10(13(15,16)17)12(11)18-7-9(21)8-20-6-2-5-19-20/h1-6,9,18,21H,7-8H2.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol?
1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 319.71 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 60899820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).