4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide

C13H14BrN3O — CID 112689151

IUPAC4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
SMILESCCc1cc(NC(=O)c2ccc(Br)cc2C)n[nH]1
InChIInChI=1S/C13H14BrN3O/c1-3-10-7-12(17-16-10)15-13(18)11-5-4-9(14)6-8(11)2/h4-7H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyGNZLLWBJPDDECJ-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.30
Rot. Bonds3

About 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide

4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide (PubChem CID 112689151) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
PubChem CID112689151
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
SMILESCCc1cc(NC(=O)c2ccc(Br)cc2C)n[nH]1
InChIInChI=1S/C13H14BrN3O/c1-3-10-7-12(17-16-10)15-13(18)11-5-4-9(14)6-8(11)2/h4-7H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyGNZLLWBJPDDECJ-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-methylbenzamide
CID 113259455
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
CID 107075978
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 47423228
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide
CID 115744341
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide (CID 112689151) is 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide is CCc1cc(NC(=O)c2ccc(Br)cc2C)n[nH]1.
What is the InChIKey of 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide?
The InChIKey is GNZLLWBJPDDECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-3-10-7-12(17-16-10)15-13(18)11-5-4-9(14)6-8(11)2/h4-7H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide?
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide has a molecular weight of 308.18 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide is sourced from PubChem (CID 112689151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).