5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide

C12H11Br2N3O — CID 114895144

IUPAC5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(Br)cc2C(N)=O)c(C)c1Br
InChIInChI=1S/C12H11Br2N3O/c1-6-11(14)7(2)17(16-6)10-4-3-8(13)5-9(10)12(15)18/h3-5H,1-2H3,(H2,15,18)
InChIKeyWWKPLIHCMQJHGW-UHFFFAOYSA-N
MW373.05 g/mol
LogP3.11
Rot. Bonds2

About 5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide

5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 114895144) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID114895144
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(Br)cc2C(N)=O)c(C)c1Br
InChIInChI=1S/C12H11Br2N3O/c1-6-11(14)7(2)17(16-6)10-4-3-8(13)5-9(10)12(15)18/h3-5H,1-2H3,(H2,15,18)
InChIKeyWWKPLIHCMQJHGW-UHFFFAOYSA-N
XLogP3.11
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole
CID 65485777
2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 62129939
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944784
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzoic acid
CID 55107471
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-fluorobenzamide
CID 79522501
5-bromo-2-(3,5-dimethyl-4-nitropyrazol-1-yl)benzoic acid
CID 114896055
4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole
CID 65343683
5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide
CID 61312649
2-(3-aminopyrazol-1-yl)-5-bromobenzamide
CID 114895160
4-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzonitrile
CID 114902301
4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide
CID 114907640
5-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 114892139

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of 5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide (CID 114895144) is 5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for 5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for 5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide is Cc1nn(-c2ccc(Br)cc2C(N)=O)c(C)c1Br.
What is the InChIKey of 5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is WWKPLIHCMQJHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-6-11(14)7(2)17(16-6)10-4-3-8(13)5-9(10)12(15)18/h3-5H,1-2H3,(H2,15,18).
What are the key properties of 5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide?
5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 373.05 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 114895144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).