1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone

C13H13BrN2O — CID 62126241

IUPAC1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C13H13BrN2O/c1-2-16-9-10(8-15-16)7-13(17)11-5-3-4-6-12(11)14/h3-6,8-9H,2,7H2,1H3
InChIKeyHKDLFICGWBJJLY-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.09
Rot. Bonds4

About 1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone

1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone (PubChem CID 62126241) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
PubChem CID62126241
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C13H13BrN2O/c1-2-16-9-10(8-15-16)7-13(17)11-5-3-4-6-12(11)14/h3-6,8-9H,2,7H2,1H3
InChIKeyHKDLFICGWBJJLY-UHFFFAOYSA-N
XLogP3.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)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

1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965367
1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 64713085
1-(4-bromo-3-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965452
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965431
2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029880
1-(6-bromonaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965347
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
1-(3-bromo-2-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965321
1-(3-bromo-5-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 107944320
1-(2-bromophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755660
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716
2-bromo-5-[(1-ethylpyrazol-4-yl)methylsulfanyl]benzoic acid
CID 113371472

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone (CID 62126241) is 1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone is CCn1cc(CC(=O)c2ccccc2Br)cn1.
What is the InChIKey of 1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The InChIKey is HKDLFICGWBJJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-2-16-9-10(8-15-16)7-13(17)11-5-3-4-6-12(11)14/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone?
1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone has a molecular weight of 293.16 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 62126241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).