1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol

C17H14F3N3O — CID 45218970

IUPAC1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol
SMILESOC(Cn1ccc(-c2cccc(-c3ccccn3)c2)n1)C(F)(F)F
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)16(24)11-23-9-7-15(22-23)13-5-3-4-12(10-13)14-6-1-2-8-21-14/h1-10,16,24H,11H2
InChIKeyOHAGURWOVPKQIM-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.54
Rot. Bonds4

About 1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol

1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol (PubChem CID 45218970) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol
PubChem CID45218970
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol
SMILESOC(Cn1ccc(-c2cccc(-c3ccccn3)c2)n1)C(F)(F)F
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)16(24)11-23-9-7-15(22-23)13-5-3-4-12(10-13)14-6-1-2-8-21-14/h1-10,16,24H,11H2
InChIKeyOHAGURWOVPKQIM-UHFFFAOYSA-N
XLogP3.54
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol (CID 45218970) is 1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol is OC(Cn1ccc(-c2cccc(-c3ccccn3)c2)n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is OHAGURWOVPKQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-17(19,20)16(24)11-23-9-7-15(22-23)13-5-3-4-12(10-13)14-6-1-2-8-21-14/h1-10,16,24H,11H2.
What are the key properties of 1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 333.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(3-pyridin-2-ylphenyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 45218970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).