1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone

C16H17ClN2O — CID 64784504

IUPAC1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
SMILESO=C(Cc1ccn(C2CCCC2)n1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c17-15-8-4-3-7-14(15)16(20)11-12-9-10-19(18-12)13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2
InChIKeyYFYPUPUWAYCZKK-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.08
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone

1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone (PubChem CID 64784504) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
PubChem CID64784504
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
SMILESO=C(Cc1ccn(C2CCCC2)n1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c17-15-8-4-3-7-14(15)16(20)11-12-9-10-19(18-12)13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2
InChIKeyYFYPUPUWAYCZKK-UHFFFAOYSA-N
XLogP4.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114977374
2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105107346
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114977377
1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 107996435
1-(3-chloro-4-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784321
1-(4-bromo-3-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977474
1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977452
3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
CID 103458105
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64783341
2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114977358
N-(cyclodecapentaenyl)-2-(1-cycloheptylpyrazol-3-yl)acetamide
CID 177025916

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone (CID 64784504) is 1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone is O=C(Cc1ccn(C2CCCC2)n1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The InChIKey is YFYPUPUWAYCZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-15-8-4-3-7-14(15)16(20)11-12-9-10-19(18-12)13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2.
What are the key properties of 1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone has a molecular weight of 288.78 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone is sourced from PubChem (CID 64784504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).