4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol

C17H22N2O — CID 171921837

IUPAC4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol
SMILESCc1cc(-c2cnn(C3CCCCC3)c2)cc(C)c1O
InChIInChI=1S/C17H22N2O/c1-12-8-14(9-13(2)17(12)20)15-10-18-19(11-15)16-6-4-3-5-7-16/h8-11,16,20H,3-7H2,1-2H3
InChIKeyWHZYRNIFLOWDGZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.38
Rot. Bonds2

About 4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol

4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol (PubChem CID 171921837) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol
PubChem CID171921837
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol
SMILESCc1cc(-c2cnn(C3CCCCC3)c2)cc(C)c1O
InChIInChI=1S/C17H22N2O/c1-12-8-14(9-13(2)17(12)20)15-10-18-19(11-15)16-6-4-3-5-7-16/h8-11,16,20H,3-7H2,1-2H3
InChIKeyWHZYRNIFLOWDGZ-UHFFFAOYSA-N
XLogP4.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid
CID 171365297
4-(1-cyclopentylpyrazol-4-yl)-2-fluoro-6-methylbenzoic acid
CID 171365273
1-cycloheptylpyrazol-4-ol
CID 116799473
3-(1-cyclopentylpyrazol-4-yl)-5-methylbenzonitrile
CID 172989940
[2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol
CID 172876873
[6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol
CID 172868823
1-cyclopentyl-4-(3-iodophenyl)pyrazole
CID 79788089
3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile
CID 172990846
1-cyclobutyl-4-methylpyrazole
CID 59225391
1-cyclobutyl-4-methylpyrazole;ethane;methanol
CID 162747933
2,6-dimethyl-4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 172876934
2-(1-cycloheptylpyrazol-4-yl)aniline
CID 82927063

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol?
The IUPAC name of 4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol (CID 171921837) is 4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol?
The canonical SMILES for 4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol is Cc1cc(-c2cnn(C3CCCCC3)c2)cc(C)c1O.
What is the InChIKey of 4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol?
The InChIKey is WHZYRNIFLOWDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-8-14(9-13(2)17(12)20)15-10-18-19(11-15)16-6-4-3-5-7-16/h8-11,16,20H,3-7H2,1-2H3.
What are the key properties of 4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol?
4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol has a molecular weight of 270.38 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol is sourced from PubChem (CID 171921837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).