3-[[[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]amino]carbonyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
1006441-14-0- Standard SMILES
Cc1c(CNC(=O)c2nn(C)cc2C(=O)O)cnn1C- InChIKey
UWBMRQHAULDBIS-UHFFFAOYSA-N- Molecular formula
- C12H15N5O3
- Average molar mass
- 277.28 g/mol
- Monoisotopic mass
- 277.11748936
Names & identifiers
- Preferred name
- 3-[[[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]amino]carbonyl]-1-methyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
Names & synonyms
DTXSID601116258AKOS0003154021006441-14-03-[[[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]amino]carbonyl]-1-methyl-1H-pyrazole-4-carboxylic acid3-{[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Database identifiers
- CAS
1006441-14-0- PubChem CID
- 19623973
- DTXSID
DTXSID601116258
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
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Compound notes
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