1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone

C12H19N3O — CID 116607236

IUPAC1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(CC(=O)C2(C)CCCC2N)n1
InChIInChI=1S/C12H19N3O/c1-12(6-3-4-10(12)13)11(16)8-9-5-7-15(2)14-9/h5,7,10H,3-4,6,8,13H2,1-2H3
InChIKeyDBOMEVQIDDWXNP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.05
Rot. Bonds3

About 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone

1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 116607236) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID116607236
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(CC(=O)C2(C)CCCC2N)n1
InChIInChI=1S/C12H19N3O/c1-12(6-3-4-10(12)13)11(16)8-9-5-7-15(2)14-9/h5,7,10H,3-4,6,8,13H2,1-2H3
InChIKeyDBOMEVQIDDWXNP-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116607321
1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116607382
1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116607264
1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone
CID 82869126
1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone
CID 116607168
1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
1-(4,4-difluorocyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 105123784
1-(2-amino-1-methylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116607345
1-(4-methoxyoxan-4-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116748665
2-amino-1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 114125275
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116580777
1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116607388

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone (CID 116607236) is 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone is Cn1ccc(CC(=O)C2(C)CCCC2N)n1.
What is the InChIKey of 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is DBOMEVQIDDWXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(6-3-4-10(12)13)11(16)8-9-5-7-15(2)14-9/h5,7,10H,3-4,6,8,13H2,1-2H3.
What are the key properties of 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone?
1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 221.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116607236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).