(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone

C12H10Br2N2O — CID 107944306

IUPAC(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C12H10Br2N2O/c1-2-16-7-8(6-15-16)12(17)10-4-3-9(13)5-11(10)14/h3-7H,2H2,1H3
InChIKeyHCEMLFWAWZLVIN-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.66
Rot. Bonds3

About (2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone

(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone (PubChem CID 107944306) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone
PubChem CID107944306
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C12H10Br2N2O/c1-2-16-7-8(6-15-16)12(17)10-4-3-9(13)5-11(10)14/h3-7H,2H2,1H3
InChIKeyHCEMLFWAWZLVIN-UHFFFAOYSA-N
XLogP3.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,4-dibromophenyl)-(1-ethylpyrazol-4-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

4-benzoyl-1-methyl-1H-pyrazole
CID 13334060
(2-bromophenyl)(4-methyl-1H-pyrazol-1-yl)methanone
CID 1245528
2-(4-Bromopyrazolyl)-1-phenylethan-1-one
CID 2984305
3-[3-(4-bromophenyl)-4-formyl-1H-pyrazol-1-yl]propanenitrile
CID 2874773
(1-ethyl-3-methyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 23005729
1-(3-bromophenyl)-2-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethane-1,2-dione
CID 59772691
1-(2-Bromo-4-fluorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-one
CID 164718778
2-Bromo-1-(2-bromo-4-fluorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-one
CID 164719377
1-(2-Bromo-4-fluorophenyl)-3-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-one
CID 166559892
1-(2-Bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-one
CID 166559993
1-[5-(4-Bromo-2-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone
CID 167642510
2-[4-(3-Bromo-2-fluorophenyl)pyrazol-1-yl]-1-phenylethanone
CID 176294264

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone (CID 107944306) is (2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)c2ccc(Br)cc2Br)cn1.
What is the InChIKey of (2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is HCEMLFWAWZLVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c1-2-16-7-8(6-15-16)12(17)10-4-3-9(13)5-11(10)14/h3-7H,2H2,1H3.
What are the key properties of (2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone?
(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 358.03 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 107944306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).