2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol

C13H22N2O — CID 103130256

IUPAC2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)c1ccn(C)n1
InChIInChI=1S/C13H22N2O/c1-10-9-12(2,3)6-7-13(10,16)11-5-8-15(4)14-11/h5,8,10,16H,6-7,9H2,1-4H3
InChIKeyVFEOMLBKSKHPDN-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.45
Rot. Bonds1

About 2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol

2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol (PubChem CID 103130256) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol
PubChem CID103130256
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)c1ccn(C)n1
InChIInChI=1S/C13H22N2O/c1-10-9-12(2,3)6-7-13(10,16)11-5-8-15(4)14-11/h5,8,10,16H,6-7,9H2,1-4H3
InChIKeyVFEOMLBKSKHPDN-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol
CID 103122302
2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol
CID 130554961
1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81313765
8-(1-methylpyrazol-3-yl)tricyclo[5.2.1.02,6]decan-8-ol
CID 103130067
4-(methylamino)-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol
CID 103132259
1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314198
1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314579
1-(3-chlorothiophen-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 107359119
7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 103130263
7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171951809
2,4,4-trimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 81304523
1-(3-bromo-2,6-difluorophenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 106941425

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol (CID 103130256) is 2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol is CC1CC(C)(C)CCC1(O)c1ccn(C)n1.
What is the InChIKey of 2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol?
The InChIKey is VFEOMLBKSKHPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-9-12(2,3)6-7-13(10,16)11-5-8-15(4)14-11/h5,8,10,16H,6-7,9H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol?
2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 103130256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).