1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone

C12H19N3O — CID 116550574

IUPAC1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2(N)CCCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-15-9-10(8-14-15)7-11(16)12(13)5-3-2-4-6-12/h8-9H,2-7,13H2,1H3
InChIKeyJXWWJBRLVJAMDO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.19
Rot. Bonds3

About 1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone

1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 116550574) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID116550574
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2(N)CCCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-15-9-10(8-14-15)7-11(16)12(13)5-3-2-4-6-12/h8-9H,2-7,13H2,1H3
InChIKeyJXWWJBRLVJAMDO-UHFFFAOYSA-N
XLogP1.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116576739
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990
1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107061763
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119292835
1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116607321
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 103558759
1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116604756
1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103023798
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
CID 103017652
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116550422
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone (CID 116550574) is 1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone is Cn1cc(CC(=O)C2(N)CCCCC2)cn1.
What is the InChIKey of 1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is JXWWJBRLVJAMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-9-10(8-14-15)7-11(16)12(13)5-3-2-4-6-12/h8-9H,2-7,13H2,1H3.
What are the key properties of 1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone?
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 221.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 116550574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).