1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone

C16H16BrClN2O — CID 107996435

IUPAC1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
SMILESO=C(Cc1ccn(C2CCCC2)n1)c1ccc(Cl)cc1Br
InChIInChI=1S/C16H16BrClN2O/c17-15-9-11(18)5-6-14(15)16(21)10-12-7-8-20(19-12)13-3-1-2-4-13/h5-9,13H,1-4,10H2
InChIKeyJNBLAHIGTCNDJX-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.84
Rot. Bonds4

About 1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone

1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone (PubChem CID 107996435) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
PubChem CID107996435
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
SMILESO=C(Cc1ccn(C2CCCC2)n1)c1ccc(Cl)cc1Br
InChIInChI=1S/C16H16BrClN2O/c17-15-9-11(18)5-6-14(15)16(21)10-12-7-8-20(19-12)13-3-1-2-4-13/h5-9,13H,1-4,10H2
InChIKeyJNBLAHIGTCNDJX-UHFFFAOYSA-N
XLogP4.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.84
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
1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977452
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
1-(4-bromo-3-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977474
1-(3-chloro-4-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784321
1-(2-bromo-4-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 107996424
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone
CID 114975038
1-(4-amino-3-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116581952
2-bromo-5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]aniline
CID 81280452
2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105107346
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone (CID 107996435) is 1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone is O=C(Cc1ccn(C2CCCC2)n1)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The InChIKey is JNBLAHIGTCNDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c17-15-9-11(18)5-6-14(15)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 1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone has a molecular weight of 367.67 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone is sourced from PubChem (CID 107996435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).