2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone

C13H19ClN2O — CID 107187121

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone
SMILESCc1nn(C)c(CC(=O)C2CCCC2C)c1Cl
InChIInChI=1S/C13H19ClN2O/c1-8-5-4-6-10(8)12(17)7-11-13(14)9(2)15-16(11)3/h8,10H,4-7H2,1-3H3
InChIKeyGBJPUYPIKJBOIL-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.93
Rot. Bonds3

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone (PubChem CID 107187121) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone
PubChem CID107187121
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone
SMILESCc1nn(C)c(CC(=O)C2CCCC2C)c1Cl
InChIInChI=1S/C13H19ClN2O/c1-8-5-4-6-10(8)12(17)7-11-13(14)9(2)15-16(11)3/h8,10H,4-7H2,1-3H3
InChIKeyGBJPUYPIKJBOIL-UHFFFAOYSA-N
XLogP2.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(thian-2-yl)ethanone
CID 80621835
1-(2-aminocyclopentyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116580338
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-cyclohexylbutan-2-one
CID 114979075
5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
CID 66045871
1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 116558902
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 116604206
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062584
1-(2-aminocycloheptyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116595346
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572602
1-(4-chloro-1,3-dimethylpyrazol-5-yl)heptan-2-one
CID 114979229
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methylbutan-2-one
CID 116560270
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986084

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone (CID 107187121) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone is Cc1nn(C)c(CC(=O)C2CCCC2C)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone?
The InChIKey is GBJPUYPIKJBOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8-5-4-6-10(8)12(17)7-11-13(14)9(2)15-16(11)3/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone has a molecular weight of 254.76 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone is sourced from PubChem (CID 107187121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).