1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone

C13H21N3O — CID 116607264

IUPAC1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)C2(C)CCCC2N)n(C)n1
InChIInChI=1S/C13H21N3O/c1-9-7-10(16(3)15-9)8-12(17)13(2)6-4-5-11(13)14/h7,11H,4-6,8,14H2,1-3H3
InChIKeyAIXZYCVQTFLWRW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.36
Rot. Bonds3

About 1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone

1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 116607264) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
PubChem CID116607264
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)C2(C)CCCC2N)n(C)n1
InChIInChI=1S/C13H21N3O/c1-9-7-10(16(3)15-9)8-12(17)13(2)6-4-5-11(13)14/h7,11H,4-6,8,14H2,1-3H3
InChIKeyAIXZYCVQTFLWRW-UHFFFAOYSA-N
XLogP1.36
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
CID 114978838
2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450683
1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116607236
1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116607321
1-(2-amino-1-methylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116607345
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone
CID 104610214
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558858
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750559
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
1-(2-amino-1-methylcyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116607340
1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone
CID 116607168
1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116607121

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone (CID 116607264) is 1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone is Cc1cc(CC(=O)C2(C)CCCC2N)n(C)n1.
What is the InChIKey of 1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is AIXZYCVQTFLWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-7-10(16(3)15-9)8-12(17)13(2)6-4-5-11(13)14/h7,11H,4-6,8,14H2,1-3H3.
What are the key properties of 1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 1.36, 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-(2,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116607264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).