1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone

C14H23N3O — CID 116592412

IUPAC1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)C2CCC(CN)CC2)n(C)n1
InChIInChI=1S/C14H23N3O/c1-10-7-13(17(2)16-10)8-14(18)12-5-3-11(9-15)4-6-12/h7,11-12H,3-6,8-9,15H2,1-2H3
InChIKeyRYQFHSCGHWFXLZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.61
Rot. Bonds4

About 1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone

1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 116592412) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
PubChem CID116592412
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)C2CCC(CN)CC2)n(C)n1
InChIInChI=1S/C14H23N3O/c1-10-7-13(17(2)16-10)8-14(18)12-5-3-11(9-15)4-6-12/h7,11-12H,3-6,8-9,15H2,1-2H3
InChIKeyRYQFHSCGHWFXLZ-UHFFFAOYSA-N
XLogP1.61
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
[2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 81010612
1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 80601563
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116586028
N'-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropanecarboximidamide
CID 130892923
2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450683
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
CID 116564213
1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116607264
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one
CID 103457452
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 106506893
1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
CID 79044913

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone (CID 116592412) is 1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone is Cc1cc(CC(=O)C2CCC(CN)CC2)n(C)n1.
What is the InChIKey of 1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is RYQFHSCGHWFXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-7-13(17(2)16-10)8-14(18)12-5-3-11(9-15)4-6-12/h7,11-12H,3-6,8-9,15H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone?
1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 249.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116592412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).