2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone

C18H22N2O — CID 114977377

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccn(C3CCCC3)n2)c1C
InChIInChI=1S/C18H22N2O/c1-13-6-5-9-17(14(13)2)18(21)12-15-10-11-20(19-15)16-7-3-4-8-16/h5-6,9-11,16H,3-4,7-8,12H2,1-2H3
InChIKeyAXZZFNSSVFQAPK-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.04
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone

2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone (PubChem CID 114977377) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone
PubChem CID114977377
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccn(C3CCCC3)n2)c1C
InChIInChI=1S/C18H22N2O/c1-13-6-5-9-17(14(13)2)18(21)12-15-10-11-20(19-15)16-7-3-4-8-16/h5-6,9-11,16H,3-4,7-8,12H2,1-2H3
InChIKeyAXZZFNSSVFQAPK-UHFFFAOYSA-N
XLogP4.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)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-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105107346
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone
CID 64784881
1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 115793097
1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977452
2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 114975042
2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114977374
2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114977358
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
CID 103458105
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64783341
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone (CID 114977377) is 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone is Cc1cccc(C(=O)Cc2ccn(C3CCCC3)n2)c1C.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone?
The InChIKey is AXZZFNSSVFQAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-6-5-9-17(14(13)2)18(21)12-15-10-11-20(19-15)16-7-3-4-8-16/h5-6,9-11,16H,3-4,7-8,12H2,1-2H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone?
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone has a molecular weight of 282.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone is sourced from PubChem (CID 114977377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).