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

C11H10BrN3O — CID 80980041

IUPAC2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C11H10BrN3O/c1-7-2-3-10(12)9(4-7)11(16)15-8-5-13-14-6-8/h2-6H,1H3,(H,13,14)(H,15,16)
InChIKeyNZVSOGNWRUESTM-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.73
Rot. Bonds2

About 2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide

2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 80980041) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide
PubChem CID80980041
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C11H10BrN3O/c1-7-2-3-10(12)9(4-7)11(16)15-8-5-13-14-6-8/h2-6H,1H3,(H,13,14)(H,15,16)
InChIKeyNZVSOGNWRUESTM-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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Related Compounds

2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide
CID 106852624
2-bromo-N-(1-ethylpyrazol-4-yl)-5-methylbenzamide
CID 80979734
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
3,6-dimethyl-N-(1H-pyrazol-4-yl)pyridazine-4-carboxamide
CID 115875480
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
2-bromo-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787216

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide (CID 80980041) is 2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide is Cc1ccc(Br)c(C(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is NZVSOGNWRUESTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-7-2-3-10(12)9(4-7)11(16)15-8-5-13-14-6-8/h2-6H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide?
2-bromo-5-methyl-N-(1H-pyrazol-4-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 2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 80980041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).