1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol

C17H22N2O — CID 82870077

IUPAC1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol
SMILESCn1ccc(CC2(O)CCCCC2c2ccccc2)n1
InChIInChI=1S/C17H22N2O/c1-19-12-10-15(18-19)13-17(20)11-6-5-9-16(17)14-7-3-2-4-8-14/h2-4,7-8,10,12,16,20H,5-6,9,11,13H2,1H3
InChIKeySKEILQMHYZUWOF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.05
Rot. Bonds3

About 1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol

1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol (PubChem CID 82870077) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol
PubChem CID82870077
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol
SMILESCn1ccc(CC2(O)CCCCC2c2ccccc2)n1
InChIInChI=1S/C17H22N2O/c1-19-12-10-15(18-19)13-17(20)11-6-5-9-16(17)14-7-3-2-4-8-14/h2-4,7-8,10,12,16,20H,5-6,9,11,13H2,1H3
InChIKeySKEILQMHYZUWOF-UHFFFAOYSA-N
XLogP3.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869673
1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol
CID 82870101
1-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-ol
CID 79734846
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869191
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
2-phenyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222408
1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60798196
2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
CID 104735628
1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60797806
2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82870793
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091
1-(2-methylbutyl)-2-phenylcyclohexan-1-ol
CID 65147898

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol (CID 82870077) is 1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol is Cn1ccc(CC2(O)CCCCC2c2ccccc2)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol?
The InChIKey is SKEILQMHYZUWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19-12-10-15(18-19)13-17(20)11-6-5-9-16(17)14-7-3-2-4-8-14/h2-4,7-8,10,12,16,20H,5-6,9,11,13H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol?
1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 82870077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).