(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol

C15H13N3O — CID 740179

IUPAC(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C15H13N3O/c19-11-13-10-18(14-6-2-1-3-7-14)17-15(13)12-5-4-8-16-9-12/h1-10,19H,11H2
InChIKeyXWVPUSOVJTUCFI-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.43
Rot. Bonds3

About (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol

(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol (PubChem CID 740179) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol
PubChem CID740179
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C15H13N3O/c19-11-13-10-18(14-6-2-1-3-7-14)17-15(13)12-5-4-8-16-9-12/h1-10,19H,11H2
InChIKeyXWVPUSOVJTUCFI-UHFFFAOYSA-N
XLogP2.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol?
The IUPAC name of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol (CID 740179) is (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol?
The canonical SMILES for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol is OCc1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol?
The InChIKey is XWVPUSOVJTUCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-11-13-10-18(14-6-2-1-3-7-14)17-15(13)12-5-4-8-16-9-12/h1-10,19H,11H2.
What are the key properties of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol?
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol has a molecular weight of 251.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 740179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).