6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol

C15H12ClN3O — CID 125491841

IUPAC6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol
SMILESOc1cnc(Cl)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H12ClN3O/c16-15-9-12(14(20)10-17-15)8-11-2-4-13(5-3-11)19-7-1-6-18-19/h1-7,9-10,20H,8H2
InChIKeyMZCCDCGKLIMODL-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.22
Rot. Bonds3

About 6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol

6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol (PubChem CID 125491841) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol
PubChem CID125491841
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol
SMILESOc1cnc(Cl)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H12ClN3O/c16-15-9-12(14(20)10-17-15)8-11-2-4-13(5-3-11)19-7-1-6-18-19/h1-7,9-10,20H,8H2
InChIKeyMZCCDCGKLIMODL-UHFFFAOYSA-N
XLogP3.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.22
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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Related Compounds

4-[(4-pyrazol-1-ylphenyl)methyl]quinoline
CID 174923169
1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
CID 139380585
methyl 2-hydroxy-3,4-dimethyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzoate
CID 118468338
methyl 3-chloro-4-methoxy-2-(methoxymethoxy)-5-[(4-pyrazol-1-ylphenyl)methyl]benzoate
CID 118468333
1-[5-(difluoromethoxy)-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
CID 129045080
6-hydrazinyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2,5-diamine
CID 145270329
1-(3-benzyl-4-methylphenyl)pyrazole
CID 58508496
5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 129017479
2-fluoro-3,4-dimethyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzoic acid
CID 137404588
formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 159700892
N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663267
1-(3,4-dichlorophenyl)pyrazole
CID 20572459

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol?
The IUPAC name of 6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol (CID 125491841) is 6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol.
What is the SMILES notation for 6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol?
The canonical SMILES for 6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol is Oc1cnc(Cl)cc1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol?
The InChIKey is MZCCDCGKLIMODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-15-9-12(14(20)10-17-15)8-11-2-4-13(5-3-11)19-7-1-6-18-19/h1-7,9-10,20H,8H2.
What are the key properties of 6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol?
6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol has a molecular weight of 285.73 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol is sourced from PubChem (CID 125491841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).