[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol

C21H16FN3O — CID 12071119

IUPAC[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F
InChIInChI=1S/C21H16FN3O/c22-19-9-5-4-8-18(19)21-16(14-26)12-24-25(21)17-10-11-20(23-13-17)15-6-2-1-3-7-15/h1-13,26H,14H2
InChIKeyXFUNPQVHROMGDG-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.23
Rot. Bonds4

About [5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol

[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol (PubChem CID 12071119) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol
PubChem CID12071119
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F
InChIInChI=1S/C21H16FN3O/c22-19-9-5-4-8-18(19)21-16(14-26)12-24-25(21)17-10-11-20(23-13-17)15-6-2-1-3-7-15/h1-13,26H,14H2
InChIKeyXFUNPQVHROMGDG-UHFFFAOYSA-N
XLogP4.23
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol (CID 12071119) is [5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol is OCc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F.
What is the InChIKey of [5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol?
The InChIKey is XFUNPQVHROMGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-19-9-5-4-8-18(19)21-16(14-26)12-24-25(21)17-10-11-20(23-13-17)15-6-2-1-3-7-15/h1-13,26H,14H2.
What are the key properties of [5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol?
[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol has a molecular weight of 345.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 12071119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).