[3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol

C17H15ClN2O — CID 5174476

IUPAC[3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1cccc(-n2cc(CO)c(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C17H15ClN2O/c1-12-3-2-4-16(9-12)20-10-14(11-21)17(19-20)13-5-7-15(18)8-6-13/h2-10,21H,11H2,1H3
InChIKeyVSRNJNLNGPWIJE-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.99
Rot. Bonds3

About [3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol

[3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol (PubChem CID 5174476) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
PubChem CID5174476
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name[3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1cccc(-n2cc(CO)c(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C17H15ClN2O/c1-12-3-2-4-16(9-12)20-10-14(11-21)17(19-20)13-5-7-15(18)8-6-13/h2-10,21H,11H2,1H3
InChIKeyVSRNJNLNGPWIJE-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-chlorophenyl)methanol
CID 11475733
3-(4-Bromophenyl)-1-phenyl-1H-pyrazole-4-methanol
CID 740185
(E)-3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 5344074
[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 740195
3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 829984
(2E)-3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
CID 746768
(4-Chloro-phenyl)-[(4aR,5S)-1-(4-fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-methanol
CID 44394837
(E)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[(2-fluorophenyl)methoxy]methanimine
CID 127025163
(E)-N-[(2-chlorophenyl)methoxy]-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 127036623
(E)-N-[(2-chlorophenyl)methoxy]-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 127036935
(1,3-Diphenyl-1h-pyrazol-4-yl)-methanol
CID 740175

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol (CID 5174476) is [3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol is Cc1cccc(-n2cc(CO)c(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of [3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol?
The InChIKey is VSRNJNLNGPWIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-3-2-4-16(9-12)20-10-14(11-21)17(19-20)13-5-7-15(18)8-6-13/h2-10,21H,11H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol?
[3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol has a molecular weight of 298.77 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 5174476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).