1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol

C12H19BrN2O — CID 114636063

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(c2c(Br)cnn2C)C(C)C1
InChIInChI=1S/C12H19BrN2O/c1-8-4-5-12(16,9(2)6-8)11-10(13)7-14-15(11)3/h7-9,16H,4-6H2,1-3H3
InChIKeyLUANLLMYEIKYPY-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.83
Rot. Bonds1

About 1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol

1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol (PubChem CID 114636063) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol
PubChem CID114636063
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(c2c(Br)cnn2C)C(C)C1
InChIInChI=1S/C12H19BrN2O/c1-8-4-5-12(16,9(2)6-8)11-10(13)7-14-15(11)3/h7-9,16H,4-6H2,1-3H3
InChIKeyLUANLLMYEIKYPY-UHFFFAOYSA-N
XLogP2.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,4-dimethylcyclohexan-1-ol
CID 114636069
3-(4-bromo-1-methylpyrazol-5-yl)-4-methylthiolan-3-ol
CID 130520171
4-bromo-1-methyl-5-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]pyrazole
CID 125426870
1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 114635925
1-(4-bromo-1-methylpyrazol-5-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 114637955
3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol
CID 114637212
4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
CID 114637377
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol
CID 114636081
4-bromo-1-methyl-5-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrazole
CID 125425806
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylcyclopentan-1-ol
CID 114635969
1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol
CID 114636259

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol (CID 114636063) is 1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol is CC1CCC(O)(c2c(Br)cnn2C)C(C)C1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol?
The InChIKey is LUANLLMYEIKYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-8-4-5-12(16,9(2)6-8)11-10(13)7-14-15(11)3/h7-9,16H,4-6H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol?
1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 114636063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).