Basic information
- Standard SMILES
O=C(Nc1c[nH]nc1C(=O)O)c1cccc2c1OCCO2- InChIKey
GUQNVIOIEJOFIR-UHFFFAOYSA-N- Molecular formula
- C13H11N3O5
- Average molar mass
- 289.24 g/mol
- Monoisotopic mass
- 289.06987046
Names & identifiers
- Preferred name
- 4-[(2,3-dihydro-benzo[1,4]dioxine-5-carbonyl)-amino]-1H-pyrazole-3-carboxylic acid
- IUPAC
- 4-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-1H-pyrazole-5-carboxylic acid
Names & synonyms
SCHEMBL1645416GUQNVIOIEJOFIR-UHFFFAOYSA-N4-[(2,3-dihydro-benzo[1,4]dioxine-5-carbonyl)-amino]-1H-pyrazole-3-carboxylic acid
Database identifiers
- PubChem CID
- 58432242
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
Related reactions
3 records
Compound notes
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