1-methyl-5-(methylcarbamoyl)-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
1172801-30-7- Standard SMILES
CNC(=O)c1cc(C(=O)O)nn1C- InChIKey
PZBVBHZEDLOAAU-UHFFFAOYSA-N- Molecular formula
- C7H9N3O3
- Average molar mass
- 183.16 g/mol
Names & identifiers
- Preferred name
- 1-methyl-5-(methylcarbamoyl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-methyl-5-(methylcarbamoyl)pyrazole-3-carboxylic acid
- English name
- 1-methyl-5-[(methylamino)carbonyl]-1H-pyrazole-3-carboxylic acid
- Molecular formula
- C7H9N3O3
- Molecular weight
- 183.16
Names & synonyms
1172801-30-71-methyl-5-(methylcarbamoyl)-1H-pyrazole-3-carboxylic acid1-Methyl-5-[(methylamino)carbonyl]-1H-pyrazole-3-carboxylic acid1-methyl-5-(methylcarbamoyl)pyrazole-3-carboxylic acidMFCD094734731-methyl-5-(N-methylcarbamoyl)pyrazole-3-carboxylic acidXWB80130SBB024792STK351741AKOS005167760CS-0264441ST45128025
Show more names
1-methyl-5-(methylcarbamoyl)pyrazole-3-carboxylic acid - [AC79954]1H-Pyrazole-3-carboxylic acid, 1-methyl-5-[(methylamino)carbonyl]-
EN300-92797Z11982206211-methyl-5-(methylcarbamoyl)-1H-pyrazole-3-carboxylicacid
Database identifiers
- CAS
1172801-30-7
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 460.5 · 460.5±30.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 3.7 · 3.70±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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