(4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone

C12H10Br2N2O — CID 1036823

IUPAC(4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone
SMILESCc1nn(C(=O)c2cccc(Br)c2)c(C)c1Br
InChIInChI=1S/C12H10Br2N2O/c1-7-11(14)8(2)16(15-7)12(17)9-4-3-5-10(13)6-9/h3-6H,1-2H3
InChIKeyOBRPEZIZHCNJGQ-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.71
Rot. Bonds1

About (4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone

(4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone (PubChem CID 1036823) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone
PubChem CID1036823
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name(4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone
SMILESCc1nn(C(=O)c2cccc(Br)c2)c(C)c1Br
InChIInChI=1S/C12H10Br2N2O/c1-7-11(14)8(2)16(15-7)12(17)9-4-3-5-10(13)6-9/h3-6H,1-2H3
InChIKeyOBRPEZIZHCNJGQ-UHFFFAOYSA-N
XLogP3.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone?
The IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone (CID 1036823) is (4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone.
What is the SMILES notation for (4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone?
The canonical SMILES for (4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone is Cc1nn(C(=O)c2cccc(Br)c2)c(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone?
The InChIKey is OBRPEZIZHCNJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c1-7-11(14)8(2)16(15-7)12(17)9-4-3-5-10(13)6-9/h3-6H,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone?
(4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone has a molecular weight of 358.03 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylpyrazol-1-yl)-(3-bromophenyl)methanone is sourced from PubChem (CID 1036823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).