4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide

C12H13BrN4O2 — CID 56787757

IUPAC4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCn1ccccc1=O)c1[nH]ncc1Br
InChIInChI=1S/C12H13BrN4O2/c13-9-8-15-16-11(9)12(19)14-5-3-7-17-6-2-1-4-10(17)18/h1-2,4,6,8H,3,5,7H2,(H,14,19)(H,15,16)
InChIKeyAXZNNUSIQUQOHG-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.15
Rot. Bonds5

About 4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide

4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 56787757) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
PubChem CID56787757
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCn1ccccc1=O)c1[nH]ncc1Br
InChIInChI=1S/C12H13BrN4O2/c13-9-8-15-16-11(9)12(19)14-5-3-7-17-6-2-1-4-10(17)18/h1-2,4,6,8H,3,5,7H2,(H,14,19)(H,15,16)
InChIKeyAXZNNUSIQUQOHG-UHFFFAOYSA-N
XLogP1.15
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide (CID 56787757) is 4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide is O=C(NCCCn1ccccc1=O)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AXZNNUSIQUQOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c13-9-8-15-16-11(9)12(19)14-5-3-7-17-6-2-1-4-10(17)18/h1-2,4,6,8H,3,5,7H2,(H,14,19)(H,15,16).
What are the key properties of 4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide?
4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56787757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).