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

C13H20N2O — CID 114978838

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
SMILESCc1cc(CC(=O)C2(C)CCCC2)n(C)n1
InChIInChI=1S/C13H20N2O/c1-10-8-11(15(3)14-10)9-12(16)13(2)6-4-5-7-13/h8H,4-7,9H2,1-3H3
InChIKeyXDQFRDLESQMSBB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.42
Rot. Bonds3

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

2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone (PubChem CID 114978838) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
PubChem CID114978838
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
SMILESCc1cc(CC(=O)C2(C)CCCC2)n(C)n1
InChIInChI=1S/C13H20N2O/c1-10-8-11(15(3)14-10)9-12(16)13(2)6-4-5-7-13/h8H,4-7,9H2,1-3H3
InChIKeyXDQFRDLESQMSBB-UHFFFAOYSA-N
XLogP2.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone
CID 104610214
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750559
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558858
1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116607264
2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450683
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105108355
1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779670
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol
CID 114235666
1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
CID 79044913
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone (CID 114978838) is 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone is Cc1cc(CC(=O)C2(C)CCCC2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone?
The InChIKey is XDQFRDLESQMSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-8-11(15(3)14-10)9-12(16)13(2)6-4-5-7-13/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone?
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone has a molecular weight of 220.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone is sourced from PubChem (CID 114978838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).