1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol

C13H14F3N3O2 — CID 60897534

IUPAC1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
SMILESOC(CNc1ccccc1OC(F)(F)F)Cn1cccn1
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)21-12-5-2-1-4-11(12)17-8-10(20)9-19-7-3-6-18-19/h1-7,10,17,20H,8-9H2
InChIKeyNXJCCNWIWZWTTP-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.25
Rot. Bonds6

About 1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol

1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol (PubChem CID 60897534) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
PubChem CID60897534
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
SMILESOC(CNc1ccccc1OC(F)(F)F)Cn1cccn1
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)21-12-5-2-1-4-11(12)17-8-10(20)9-19-7-3-6-18-19/h1-7,10,17,20H,8-9H2
InChIKeyNXJCCNWIWZWTTP-UHFFFAOYSA-N
XLogP2.25
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol
CID 168638956
1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 22675955
ethyl 3-hydroxy-4-[2-(trifluoromethoxy)anilino]butanoate
CID 103233505
1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898605
1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899299
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 107633847
1-(2,5-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898666
1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol
CID 168638306
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 94028861
1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol
CID 60899820
3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol
CID 168596052

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol?
The IUPAC name of 1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol (CID 60897534) is 1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol.
What is the SMILES notation for 1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol?
The canonical SMILES for 1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol is OC(CNc1ccccc1OC(F)(F)F)Cn1cccn1.
What is the InChIKey of 1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol?
The InChIKey is NXJCCNWIWZWTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c14-13(15,16)21-12-5-2-1-4-11(12)17-8-10(20)9-19-7-3-6-18-19/h1-7,10,17,20H,8-9H2.
What are the key properties of 1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol?
1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol has a molecular weight of 301.27 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol is sourced from PubChem (CID 60897534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).