2-ethyl-N-(4-iodophenyl)-4-nitropyrazole-3-carboxamide
Basic information
- CAS
515177-48-7- Standard SMILES
CCn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(I)cc1- InChIKey
TXERWSYVFFKGHI-UHFFFAOYSA-N- Molecular formula
- C12H11IN4O3
- Average molar mass
- 386.15 g/mol
- Monoisotopic mass
- 385.98759
Names & identifiers
- Preferred name
- 2-ethyl-N-(4-iodophenyl)-4-nitropyrazole-3-carboxamide
- IUPAC
- 1-ethyl-N-(4-iodophenyl)-4-nitropyrazole-5-carboxamide
- English name
- 1-ethyl-4-nitro-N-(4-iodophenyl)-1H-pyrazole-5-carboxamide
- Molecular formula
- C12H11IN4O3
- Molecular weight
- 386.14521
Names & synonyms
2-ethyl-N-(4-iodophenyl)-4-nitropyrazole-3-carboxamide1-ethyl-4-nitro-N-(4-iodophenyl)-1H-pyrazole-5-carboxamideAKOS003765831ST45167736AK-968/40707756(1-ethyl-4-nitropyrazol-5-yl)-N-(4-iodophenyl)carboxamide1-ETHYL-N-(4-IODOPHENYL)-4-NITRO-1H-PYRAZOLE-5-CARBOXAMIDE515177-48-7
Database identifiers
- CAS
515177-48-7- PubChem CID
- 3291606
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…