2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol

C17H16FN3O — CID 58302206

IUPAC2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2ccn(-c3ccc(F)cc3)n2)nc1
InChIInChI=1S/C17H16FN3O/c1-17(2,22)12-3-8-15(19-11-12)16-9-10-21(20-16)14-6-4-13(18)5-7-14/h3-11,22H,1-2H3
InChIKeyKDFGEBPQDVRIDT-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.30
Rot. Bonds3

About 2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol

2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol (PubChem CID 58302206) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol
PubChem CID58302206
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2ccn(-c3ccc(F)cc3)n2)nc1
InChIInChI=1S/C17H16FN3O/c1-17(2,22)12-3-8-15(19-11-12)16-9-10-21(20-16)14-6-4-13(18)5-7-14/h3-11,22H,1-2H3
InChIKeyKDFGEBPQDVRIDT-UHFFFAOYSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol (CID 58302206) is 2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(-c2ccn(-c3ccc(F)cc3)n2)nc1.
What is the InChIKey of 2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol?
The InChIKey is KDFGEBPQDVRIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-17(2,22)12-3-8-15(19-11-12)16-9-10-21(20-16)14-6-4-13(18)5-7-14/h3-11,22H,1-2H3.
What are the key properties of 2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol?
2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 297.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 58302206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).