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

C12H12BrN3O — CID 35761193

IUPAC4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2)nn1C
InChIInChI=1S/C12H12BrN3O/c1-8-7-11(15-16(8)2)14-12(17)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,15,17)
InChIKeyHHKFWGPVTIOLNN-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.74
Rot. Bonds2

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

4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 35761193) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
PubChem CID35761193
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2)nn1C
InChIInChI=1S/C12H12BrN3O/c1-8-7-11(15-16(8)2)14-12(17)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,15,17)
InChIKeyHHKFWGPVTIOLNN-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030
2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid
CID 108813242
5-amino-N-(1,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide
CID 114253348
4-bromo-N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]benzamide
CID 5101007
1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813276
N-(1,5-dimethylpyrazol-3-yl)-3-methoxypropanamide
CID 35761217
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80709266
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
CID 138034821
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide
CID 126982193

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide (CID 35761193) is 4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(Br)cc2)nn1C.
What is the InChIKey of 4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is HHKFWGPVTIOLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-7-11(15-16(8)2)14-12(17)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of 4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide?
4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 294.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 35761193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).