2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone

C16H16Cl2N2O — CID 114977374

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone
SMILESO=C(Cc1ccn(C2CCCC2)n1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N2O/c17-11-5-6-15(18)14(9-11)16(21)10-12-7-8-20(19-12)13-3-1-2-4-13/h5-9,13H,1-4,10H2
InChIKeyZJETYYDRUPWXHA-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.73
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone

2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone (PubChem CID 114977374) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone
PubChem CID114977374
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone
SMILESO=C(Cc1ccn(C2CCCC2)n1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N2O/c17-11-5-6-15(18)14(9-11)16(21)10-12-7-8-20(19-12)13-3-1-2-4-13/h5-9,13H,1-4,10H2
InChIKeyZJETYYDRUPWXHA-UHFFFAOYSA-N
XLogP4.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 107996435
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
1-(3-chloro-4-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784321
1-(4-amino-3-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116581952
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
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-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116601990
2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 114975042
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
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-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone (CID 114977374) is 2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone is O=C(Cc1ccn(C2CCCC2)n1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone?
The InChIKey is ZJETYYDRUPWXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-11-5-6-15(18)14(9-11)16(21)10-12-7-8-20(19-12)13-3-1-2-4-13/h5-9,13H,1-4,10H2.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone?
2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone has a molecular weight of 323.22 g/mol, XLogP of 4.73, 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-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 114977374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).