[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol

C22H24N2O — CID 1474502

IUPAC[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H24N2O/c25-16-20-15-24(21-9-5-2-6-10-21)23-22(20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h2,5-6,9-15,17,25H,1,3-4,7-8,16H2
InChIKeySOWFOUGZNNQTLQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.08
Rot. Bonds4

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

[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol (PubChem CID 1474502) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is [3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol
PubChem CID1474502
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H24N2O/c25-16-20-15-24(21-9-5-2-6-10-21)23-22(20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h2,5-6,9-15,17,25H,1,3-4,7-8,16H2
InChIKeySOWFOUGZNNQTLQ-UHFFFAOYSA-N
XLogP5.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 7245329
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CID 20542793
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 883556
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
1-cyclopentyl-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]guanidine
CID 47086560
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
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(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 96998820
CID 67048003
CID 67048003
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one
CID 46295896

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol (CID 1474502) is [3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol is OCc1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1.
What is the InChIKey of [3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol?
The InChIKey is SOWFOUGZNNQTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-16-20-15-24(21-9-5-2-6-10-21)23-22(20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h2,5-6,9-15,17,25H,1,3-4,7-8,16H2.
What are the key properties of [3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol?
[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol has a molecular weight of 332.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 1474502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).