1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone

C12H19N3O — CID 116607321

IUPAC1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2(C)CCCC2N)cn1
InChIInChI=1S/C12H19N3O/c1-12(5-3-4-10(12)13)11(16)6-9-7-14-15(2)8-9/h7-8,10H,3-6,13H2,1-2H3
InChIKeyKXBFMRJFZBODLO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.05
Rot. Bonds3

About 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone

1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 116607321) 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-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID116607321
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2(C)CCCC2N)cn1
InChIInChI=1S/C12H19N3O/c1-12(5-3-4-10(12)13)11(16)6-9-7-14-15(2)8-9/h7-8,10H,3-6,13H2,1-2H3
InChIKeyKXBFMRJFZBODLO-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-3-yl)ethanone
CID 116607236
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116550574
1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 107186715
1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116607264
1-(2-amino-1-methylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116607345
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
(2-amino-1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methanone
CID 116607144
1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 107003822
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 103558759
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
CID 116607171
4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324
cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114091934

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone (CID 116607321) is 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone is Cn1cc(CC(=O)C2(C)CCCC2N)cn1.
What is the InChIKey of 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is KXBFMRJFZBODLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(5-3-4-10(12)13)11(16)6-9-7-14-15(2)8-9/h7-8,10H,3-6,13H2,1-2H3.
What are the key properties of 1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone?
1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-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-4-yl)ethanone is sourced from PubChem (CID 116607321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).