(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone

C13H13BrN2O — CID 114972479

IUPAC(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1cccc(Br)c1C
InChIInChI=1S/C13H13BrN2O/c1-3-16-12(7-8-15-16)13(17)10-5-4-6-11(14)9(10)2/h4-8H,3H2,1-2H3
InChIKeyIARYSLWZPGAFIA-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.20
Rot. Bonds3

About (3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone

(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone (PubChem CID 114972479) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone
PubChem CID114972479
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1cccc(Br)c1C
InChIInChI=1S/C13H13BrN2O/c1-3-16-12(7-8-15-16)13(17)10-5-4-6-11(14)9(10)2/h4-8H,3H2,1-2H3
InChIKeyIARYSLWZPGAFIA-UHFFFAOYSA-N
XLogP3.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone 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

(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972434
(2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877629
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
(2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone
CID 114972270
(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114972432
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanone
CID 63976768
(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 63976130
(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone
CID 118836322
(2-amino-4-chlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 64914209
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-2-methylphenyl)methanone
CID 115806110
(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972423

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of (3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone (CID 114972479) is (3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for (3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)c1cccc(Br)c1C.
What is the InChIKey of (3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is IARYSLWZPGAFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-3-16-12(7-8-15-16)13(17)10-5-4-6-11(14)9(10)2/h4-8H,3H2,1-2H3.
What are the key properties of (3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone?
(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 293.16 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).