[4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol

C15H13N3O — CID 50956474

IUPAC[4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol
SMILESOCc1cc(-c2ccc(-c3ccn[nH]3)cc2)ccn1
InChIInChI=1S/C15H13N3O/c19-10-14-9-13(5-7-16-14)11-1-3-12(4-2-11)15-6-8-17-18-15/h1-9,19H,10H2,(H,17,18)
InChIKeyXKUHITFOVMLJRS-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.63
Rot. Bonds3

About [4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol

[4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol (PubChem CID 50956474) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is [4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol
PubChem CID50956474
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name[4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol
SMILESOCc1cc(-c2ccc(-c3ccn[nH]3)cc2)ccn1
InChIInChI=1S/C15H13N3O/c19-10-14-9-13(5-7-16-14)11-1-3-12(4-2-11)15-6-8-17-18-15/h1-9,19H,10H2,(H,17,18)
InChIKeyXKUHITFOVMLJRS-UHFFFAOYSA-N
XLogP2.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol?
The IUPAC name of [4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol (CID 50956474) is [4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol?
The canonical SMILES for [4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol is OCc1cc(-c2ccc(-c3ccn[nH]3)cc2)ccn1.
What is the InChIKey of [4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol?
The InChIKey is XKUHITFOVMLJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-10-14-9-13(5-7-16-14)11-1-3-12(4-2-11)15-6-8-17-18-15/h1-9,19H,10H2,(H,17,18).
What are the key properties of [4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol?
[4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol has a molecular weight of 251.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1H-pyrazol-5-yl)phenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 50956474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).