1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol

C16H28N2O — CID 64784256

IUPAC1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H28N2O/c1-4-13(2)16(3,19)12-14-10-11-18(17-14)15-8-6-5-7-9-15/h10-11,13,15,19H,4-9,12H2,1-3H3
InChIKeyBPGVZSPZKCANLV-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.73
Rot. Bonds5

About 1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol

1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol (PubChem CID 64784256) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol
PubChem CID64784256
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H28N2O/c1-4-13(2)16(3,19)12-14-10-11-18(17-14)15-8-6-5-7-9-15/h10-11,13,15,19H,4-9,12H2,1-3H3
InChIKeyBPGVZSPZKCANLV-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
CID 64779672
3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole
CID 79447968
1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol
CID 64783095
2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487284
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83150826
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol (CID 64784256) is 1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol is CCC(C)C(C)(O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol?
The InChIKey is BPGVZSPZKCANLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-13(2)16(3,19)12-14-10-11-18(17-14)15-8-6-5-7-9-15/h10-11,13,15,19H,4-9,12H2,1-3H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol?
1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol has a molecular weight of 264.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 64784256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).