Basic information
- CAS
514818-14-5- Standard SMILES
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)OCCO2- InChIKey
MJUBZHYUTYYYKQ-UHFFFAOYSA-N- Molecular formula
- C13H12N4O5
- Average molar mass
- 304.26 g/mol
- Monoisotopic mass
- 304.0807695
Names & identifiers
- Preferred name
- 1H-Pyrazole-5-carboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitropyrazole-5-carboxamide
Names & synonyms
514818-14-51H-Pyrazole-5-carboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-RefChem:240063N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamideMLS000544241CHEMBL1572174DTXSID401132290HMS2302H09STL397824AKOS003750695N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-nitropyrazole-3-carboxamideSMR000159551
Show more names
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1-methyl-1H-pyrazole-5-carboxamide
Database identifiers
- CAS
514818-14-5- PubChem CID
- 832016
- DTXSID
DTXSID401132290- ChEMBL
CHEMBL1572174
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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