[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol

C16H13ClN2O — CID 11471651

IUPAC[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol
SMILESOCc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13ClN2O/c17-13-6-8-15(9-7-13)19-16(10-14(11-20)18-19)12-4-2-1-3-5-12/h1-10,20H,11H2
InChIKeyMBIACVVVLIIESV-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.68
Rot. Bonds3

About [1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol

[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol (PubChem CID 11471651) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol
PubChem CID11471651
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol
SMILESOCc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13ClN2O/c17-13-6-8-15(9-7-13)19-16(10-14(11-20)18-19)12-4-2-1-3-5-12/h1-10,20H,11H2
InChIKeyMBIACVVVLIIESV-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 11450880
2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid
CID 54484375
3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 154721614
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
CID 14497452
(1-chloro-5-phenylpyrazol-3-yl)methanol
CID 174977463
[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol
CID 22014688
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
3-(bromomethyl)-1-(4-methylphenyl)-5-phenylpyrazole
CID 11404650
2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
CID 12052546
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol?
The IUPAC name of [1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol (CID 11471651) is [1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol.
What is the SMILES notation for [1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol?
The canonical SMILES for [1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol is OCc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol?
The InChIKey is MBIACVVVLIIESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-13-6-8-15(9-7-13)19-16(10-14(11-20)18-19)12-4-2-1-3-5-12/h1-10,20H,11H2.
What are the key properties of [1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol?
[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol has a molecular weight of 284.75 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol is sourced from PubChem (CID 11471651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).