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

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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).