5-bromo-N-oxo-1H-pyrazole-3-carboxamide

C4H2BrN3O2 — CID 130380458

IUPAC5-bromo-N-oxo-1H-pyrazole-3-carboxamide
SMILESO=NC(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C4H2BrN3O2/c5-3-1-2(6-7-3)4(9)8-10/h1H,(H,6,7)
InChIKeyREUHJYVQRXJKFJ-UHFFFAOYSA-N
MW203.98 g/mol
LogP1.08
Rot. Bonds1

About 5-bromo-N-oxo-1H-pyrazole-3-carboxamide

5-bromo-N-oxo-1H-pyrazole-3-carboxamide (PubChem CID 130380458) has the molecular formula C4H2BrN3O2 and a molecular weight of 203.98 g/mol. Its IUPAC name is 5-bromo-N-oxo-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-oxo-1H-pyrazole-3-carboxamide
PubChem CID130380458
Molecular FormulaC4H2BrN3O2
Molecular Weight203.98 g/mol
Exact Mass202.93
IUPAC Name5-bromo-N-oxo-1H-pyrazole-3-carboxamide
SMILESO=NC(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C4H2BrN3O2/c5-3-1-2(6-7-3)4(9)8-10/h1H,(H,6,7)
InChIKeyREUHJYVQRXJKFJ-UHFFFAOYSA-N
XLogP1.08
TPSA75.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.98
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-oxo-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-2H-pyrazole-3-carboxylic acid methylamide
CID 76963830
5-Bromo-1H-pyrazole-3-carbaldehyde
CID 53423830
5-Bromo-1H-pyrazole-3-carboxamide
CID 92134046
5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide
CID 130842150
5-bromo-1H-pyrazole-3-carbonyl chloride
CID 174757210
5-bromo-1H-pyrazole-3-carbohydrazide
CID 178158311
5-bromo-N-methoxy-1H-pyrazole-3-carboxamide
CID 130719635

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-oxo-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-bromo-N-oxo-1H-pyrazole-3-carboxamide (CID 130380458) is 5-bromo-N-oxo-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-oxo-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-oxo-1H-pyrazole-3-carboxamide is O=NC(=O)c1cc(Br)[nH]n1.
What is the InChIKey of 5-bromo-N-oxo-1H-pyrazole-3-carboxamide?
The InChIKey is REUHJYVQRXJKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrN3O2/c5-3-1-2(6-7-3)4(9)8-10/h1H,(H,6,7).
What are the key properties of 5-bromo-N-oxo-1H-pyrazole-3-carboxamide?
5-bromo-N-oxo-1H-pyrazole-3-carboxamide has a molecular weight of 203.98 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-oxo-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 130380458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).