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

C12H19BrN2O — CID 114635925

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCn1ncc(Br)c1C1(O)CCC(C)(C)CC1
InChIInChI=1S/C12H19BrN2O/c1-11(2)4-6-12(16,7-5-11)10-9(13)8-14-15(10)3/h8,16H,4-7H2,1-3H3
InChIKeyGDVQKXXDIXWJNE-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.97
Rot. Bonds1

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

1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol (PubChem CID 114635925) 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)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
PubChem CID114635925
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCn1ncc(Br)c1C1(O)CCC(C)(C)CC1
InChIInChI=1S/C12H19BrN2O/c1-11(2)4-6-12(16,7-5-11)10-9(13)8-14-15(10)3/h8,16H,4-7H2,1-3H3
InChIKeyGDVQKXXDIXWJNE-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol
CID 114637212
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4,4-dimethylcyclohexan-1-ol
CID 114635932
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4,4-dimethylcycloheptan-1-ol
CID 114636278
1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol
CID 114636063
4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
CID 114637377
(4-bromo-1-methylpyrazol-5-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 114642817
1-(4-bromo-1-methylpyrazol-5-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 114637955
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol
CID 114633293
1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114637897
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)-4-methylthiolan-3-ol
CID 130520171

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol (CID 114635925) is 1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol is Cn1ncc(Br)c1C1(O)CCC(C)(C)CC1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is GDVQKXXDIXWJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-11(2)4-6-12(16,7-5-11)10-9(13)8-14-15(10)3/h8,16H,4-7H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol?
1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 2.97, 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)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 114635925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).