4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol

C13H22N2O — CID 176770936

IUPAC4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1nn(C2CCC(O)CC2)cc1C(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)13-8-15(14-10(13)3)11-4-6-12(16)7-5-11/h8-9,11-12,16H,4-7H2,1-3H3
InChIKeyQETFCEQXPSGPCH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.79
Rot. Bonds2

About 4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol

4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol (PubChem CID 176770936) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol
PubChem CID176770936
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1nn(C2CCC(O)CC2)cc1C(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)13-8-15(14-10(13)3)11-4-6-12(16)7-5-11/h8-9,11-12,16H,4-7H2,1-3H3
InChIKeyQETFCEQXPSGPCH-UHFFFAOYSA-N
XLogP2.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(1,5-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 53193291
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol
CID 141407055
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]butane-1,3-diol
CID 141407056
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]hexane-1,3-diol
CID 141407057
2-[3-(Difluoromethyl)-1-ethylpyrazol-4-yl]pentane-1,3-diol
CID 141407058
2-Methyl-3-[4-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 168139783
(2R)-2-[1-tert-butyl-3-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-ol
CID 173838595
1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
CID 83675743
1-[1-[(3-Ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 109975210
3-[1-(3-Methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006212
3-[1-(2-Methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006217
2-[1-(3-Methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006297

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol (CID 176770936) is 4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol is Cc1nn(C2CCC(O)CC2)cc1C(C)C.
What is the InChIKey of 4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is QETFCEQXPSGPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)13-8-15(14-10(13)3)11-4-6-12(16)7-5-11/h8-9,11-12,16H,4-7H2,1-3H3.
What are the key properties of 4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol?
4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 176770936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).