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

C17H19BrN2O — CID 114977452

IUPAC1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
SMILESCc1ccc(C(=O)Cc2ccn(C3CCCC3)n2)c(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-12-6-7-15(16(18)10-12)17(21)11-13-8-9-20(19-13)14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3
InChIKeyZXNIQOVGUYWLFE-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.49
Rot. Bonds4

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

1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone (PubChem CID 114977452) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
PubChem CID114977452
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
SMILESCc1ccc(C(=O)Cc2ccn(C3CCCC3)n2)c(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-12-6-7-15(16(18)10-12)17(21)11-13-8-9-20(19-13)14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3
InChIKeyZXNIQOVGUYWLFE-UHFFFAOYSA-N
XLogP4.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.49
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
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
2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114977374
1-(4-bromo-3-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977474
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone
CID 114975038
2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 114975042
1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 115810015
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone
CID 64784881
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone (CID 114977452) is 1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone is Cc1ccc(C(=O)Cc2ccn(C3CCCC3)n2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The InChIKey is ZXNIQOVGUYWLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12-6-7-15(16(18)10-12)17(21)11-13-8-9-20(19-13)14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone has a molecular weight of 347.26 g/mol, XLogP of 4.49, 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-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114977452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).