5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide

C11H11BrN4O — CID 63819398

IUPAC5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(N)ccc2Br)n[nH]1
InChIInChI=1S/C11H11BrN4O/c1-6-4-10(16-15-6)14-11(17)8-5-7(13)2-3-9(8)12/h2-5H,13H2,1H3,(H2,14,15,16,17)
InChIKeyVWCRBXVJFFZNLR-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.32
Rot. Bonds2

About 5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide

5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 63819398) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID63819398
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(N)ccc2Br)n[nH]1
InChIInChI=1S/C11H11BrN4O/c1-6-4-10(16-15-6)14-11(17)8-5-7(13)2-3-9(8)12/h2-5H,13H2,1H3,(H2,14,15,16,17)
InChIKeyVWCRBXVJFFZNLR-UHFFFAOYSA-N
XLogP2.32
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55260016
5-amino-2-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433346
3-amino-4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819252
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-methylbenzamide
CID 113259455
5-amino-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 81316584
2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819395
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
2-bromo-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787216
5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114386548
[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 2-bromobenzoate
CID 71823666
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodobenzamide
CID 103995808
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide
CID 115744341

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 63819398) is 5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cc(N)ccc2Br)n[nH]1.
What is the InChIKey of 5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is VWCRBXVJFFZNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-6-4-10(16-15-6)14-11(17)8-5-7(13)2-3-9(8)12/h2-5H,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 295.14 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 63819398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).