4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol

C13H22BrN3O — CID 112745377

IUPAC4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol
SMILESCc1nn(C)c(CC2(CN)CCC(O)CC2)c1Br
InChIInChI=1S/C13H22BrN3O/c1-9-12(14)11(17(2)16-9)7-13(8-15)5-3-10(18)4-6-13/h10,18H,3-8,15H2,1-2H3
InChIKeyOGFMSVFKJODMHD-UHFFFAOYSA-N
MW316.24 g/mol
LogP1.91
Rot. Bonds3

About 4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol

4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol (PubChem CID 112745377) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is 4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol
PubChem CID112745377
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol
SMILESCc1nn(C)c(CC2(CN)CCC(O)CC2)c1Br
InChIInChI=1S/C13H22BrN3O/c1-9-12(14)11(17(2)16-9)7-13(8-15)5-3-10(18)4-6-13/h10,18H,3-8,15H2,1-2H3
InChIKeyOGFMSVFKJODMHD-UHFFFAOYSA-N
XLogP1.91
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
CID 106797116
4-bromo-5-[[3-(bromomethyl)oxolan-3-yl]methyl]-1,3-dimethylpyrazole
CID 66048334
3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 66007024
4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole
CID 112564236
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopentylpropan-2-ol
CID 115814579
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83079779
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-oxocyclohexane-1-carboxylic acid
CID 103574933
1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol
CID 66039829
1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448231
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol
CID 80603146
N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66024880
4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole
CID 66468066

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol (CID 112745377) is 4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol is Cc1nn(C)c(CC2(CN)CCC(O)CC2)c1Br.
What is the InChIKey of 4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol?
The InChIKey is OGFMSVFKJODMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-9-12(14)11(17(2)16-9)7-13(8-15)5-3-10(18)4-6-13/h10,18H,3-8,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol?
4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol has a molecular weight of 316.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 112745377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).