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

C17H15ClN2O — CID 3863936

IUPAC[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-n2cc(CO)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H15ClN2O/c1-12-2-8-16(9-3-12)20-10-14(11-21)17(19-20)13-4-6-15(18)7-5-13/h2-10,21H,11H2,1H3
InChIKeyOBULFGMLNLGXID-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.99
Rot. Bonds3

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

[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanol (PubChem CID 3863936) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanol
PubChem CID3863936
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-n2cc(CO)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H15ClN2O/c1-12-2-8-16(9-3-12)20-10-14(11-21)17(19-20)13-4-6-15(18)7-5-13/h2-10,21H,11H2,1H3
InChIKeyOBULFGMLNLGXID-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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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanol (CID 3863936) is [3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanol is Cc1ccc(-n2cc(CO)c(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanol?
The InChIKey is OBULFGMLNLGXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-2-8-16(9-3-12)20-10-14(11-21)17(19-20)13-4-6-15(18)7-5-13/h2-10,21H,11H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanol?
[3-(4-chlorophenyl)-1-(4-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-(4-methylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3863936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).