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

C17H14F3N3O — CID 28738019

IUPAC(2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol
SMILESO[C@@H](Cn1ccc(-c2cccc(-c3cccnc3)c2)n1)C(F)(F)F
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)16(24)11-23-8-6-15(22-23)13-4-1-3-12(9-13)14-5-2-7-21-10-14/h1-10,16,24H,11H2/t16-/m0/s1
InChIKeyZDTHDQJAMGYAKM-INIZCTEOSA-N
MW333.31 g/mol
LogP3.54
Rot. Bonds4

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

(2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol (PubChem CID 28738019) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol
PubChem CID28738019
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name(2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol
SMILESO[C@@H](Cn1ccc(-c2cccc(-c3cccnc3)c2)n1)C(F)(F)F
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)16(24)11-23-8-6-15(22-23)13-4-1-3-12(9-13)14-5-2-7-21-10-14/h1-10,16,24H,11H2/t16-/m0/s1
InChIKeyZDTHDQJAMGYAKM-INIZCTEOSA-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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Related Compounds

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3-(1-benzylpyrazol-3-yl)pyridine
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(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol
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benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
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3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine
CID 168964871
2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 176586529
3-(1-fluoropyrazol-3-yl)pyridine
CID 174166820
1-[5-[3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone
CID 29211216
3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide
CID 169043311
8-pyridin-3-yl-6-[6-(trichloromethyl)-3-pyridinyl]-3-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrido[3,4-d]pyrimidin-4-one
CID 166514518

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol (CID 28738019) is (2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol is O[C@@H](Cn1ccc(-c2cccc(-c3cccnc3)c2)n1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is ZDTHDQJAMGYAKM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-17(19,20)16(24)11-23-8-6-15(22-23)13-4-1-3-12(9-13)14-5-2-7-21-10-14/h1-10,16,24H,11H2/t16-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol?
(2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-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 (2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 28738019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).