[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol

C16H13ClFN3O — CID 86688650

IUPAC[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol
SMILESCc1cnc(F)cc1-n1cc(CO)c(-c2ccccc2Cl)n1
InChIInChI=1S/C16H13ClFN3O/c1-10-7-19-15(18)6-14(10)21-8-11(9-22)16(20-21)12-4-2-3-5-13(12)17/h2-8,22H,9H2,1H3
InChIKeyWZPATXUWHFKNSM-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.53
Rot. Bonds3

About [3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol

[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol (PubChem CID 86688650) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol
PubChem CID86688650
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC Name[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol
SMILESCc1cnc(F)cc1-n1cc(CO)c(-c2ccccc2Cl)n1
InChIInChI=1S/C16H13ClFN3O/c1-10-7-19-15(18)6-14(10)21-8-11(9-22)16(20-21)12-4-2-3-5-13(12)17/h2-8,22H,9H2,1H3
InChIKeyWZPATXUWHFKNSM-UHFFFAOYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol (CID 86688650) is [3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol is Cc1cnc(F)cc1-n1cc(CO)c(-c2ccccc2Cl)n1.
What is the InChIKey of [3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol?
The InChIKey is WZPATXUWHFKNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c1-10-7-19-15(18)6-14(10)21-8-11(9-22)16(20-21)12-4-2-3-5-13(12)17/h2-8,22H,9H2,1H3.
What are the key properties of [3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol?
[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol has a molecular weight of 317.75 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 86688650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).