4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide

C11H10BrN3O — CID 5330990

IUPAC4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyPXLNCBTUYNESDD-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.73
Rot. Bonds2

About 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide

4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 5330990) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID5330990
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyPXLNCBTUYNESDD-UHFFFAOYSA-N
XLogP2.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 5330990) is 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is PXLNCBTUYNESDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 280.12 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 5330990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).