1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide

C11H8BrN3O2 — CID 64780779

IUPAC1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2cc(Br)ccc2C=O)n1
InChIInChI=1S/C11H8BrN3O2/c12-8-2-1-7(6-16)10(5-8)15-4-3-9(14-15)11(13)17/h1-6H,(H2,13,17)
InChIKeyXBNJREZZKZINLD-UHFFFAOYSA-N
MW294.11 g/mol
LogP1.55
Rot. Bonds3

About 1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide

1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide (PubChem CID 64780779) has the molecular formula C11H8BrN3O2 and a molecular weight of 294.11 g/mol. Its IUPAC name is 1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide
PubChem CID64780779
Molecular FormulaC11H8BrN3O2
Molecular Weight294.11 g/mol
Exact Mass292.98
IUPAC Name1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2cc(Br)ccc2C=O)n1
InChIInChI=1S/C11H8BrN3O2/c12-8-2-1-7(6-16)10(5-8)15-4-3-9(14-15)11(13)17/h1-6H,(H2,13,17)
InChIKeyXBNJREZZKZINLD-UHFFFAOYSA-N
XLogP1.55
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide
CID 114902313
1-(4-bromo-2-nitrophenyl)pyrazole-3-carboxamide
CID 64781002
(E)-3-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]prop-2-enoic acid
CID 55078831
1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 65342316
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide
CID 64780351
2-(3-aminopyrazol-1-yl)-5-bromobenzamide
CID 114895160
1-[2-(aminomethyl)-5-bromophenyl]-N-methylpyrazole-3-carboxamide
CID 64780985
1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide
CID 64782639
1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide
CID 66318435
1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782828
1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide
CID 105406365

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide (CID 64780779) is 1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide is NC(=O)c1ccn(-c2cc(Br)ccc2C=O)n1.
What is the InChIKey of 1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide?
The InChIKey is XBNJREZZKZINLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2/c12-8-2-1-7(6-16)10(5-8)15-4-3-9(14-15)11(13)17/h1-6H,(H2,13,17).
What are the key properties of 1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide?
1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide has a molecular weight of 294.11 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 64780779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).