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

C15H24ClN3O — CID 116604206

IUPAC1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
SMILESCc1nn(C)c(CC(=O)C2(CN)CCC(C)CC2)c1Cl
InChIInChI=1S/C15H24ClN3O/c1-10-4-6-15(9-17,7-5-10)13(20)8-12-14(16)11(2)18-19(12)3/h10H,4-9,17H2,1-3H3
InChIKeyDUTQZBYQKRVVKK-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.65
Rot. Bonds4

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

1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone (PubChem CID 116604206) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
PubChem CID116604206
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
SMILESCc1nn(C)c(CC(=O)C2(CN)CCC(C)CC2)c1Cl
InChIInChI=1S/C15H24ClN3O/c1-10-4-6-15(9-17,7-5-10)13(20)8-12-14(16)11(2)18-19(12)3/h10H,4-9,17H2,1-3H3
InChIKeyDUTQZBYQKRVVKK-UHFFFAOYSA-N
XLogP2.65
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116604048
1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 116558902
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062584
1-[1-(aminomethyl)cycloheptyl]-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116602069
1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 116563242
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116604110
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569815
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone
CID 107187121
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methylbutan-2-one
CID 116560270
1-[1-(aminomethyl)cyclopropyl]-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116601374
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116604079
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116603995

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone (CID 116604206) is 1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone is Cc1nn(C)c(CC(=O)C2(CN)CCC(C)CC2)c1Cl.
What is the InChIKey of 1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone?
The InChIKey is DUTQZBYQKRVVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-10-4-6-15(9-17,7-5-10)13(20)8-12-14(16)11(2)18-19(12)3/h10H,4-9,17H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone?
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone has a molecular weight of 297.83 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone is sourced from PubChem (CID 116604206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).