Basic information
- CAS
1174306-98-9- Standard SMILES
Cn1nc(C(=O)O)cc1NC(=O)c1ccccc1- InChIKey
CHLGZOGLEAOOHB-UHFFFAOYSA-N- Molecular formula
- C12H11N3O3
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.08004122
Names & identifiers
- Preferred name
- 5-Benzamido-1-methylpyrazole-3-carboxylic acid
- IUPAC
- 5-benzamido-1-methylpyrazole-3-carboxylic acid
Names & synonyms
1174306-98-95-Benzamido-1-methylpyrazole-3-carboxylic acid5-(benzoylamino)-1-methyl-1H-pyrazole-3-carboxylic acidDTXSID4012035185-Benzamido-1-methyl-1H-pyrazole-3-carboxylic acid
Database identifiers
- CAS
1174306-98-9- PubChem CID
- 39733125
- DTXSID
DTXSID401203518
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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