3-Amino-1-(2,3-dihydroxypropyl)-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
108194-78-1- Standard SMILES
Nc1nn(CC(O)CO)cc1C(=O)O- InChIKey
XQIHLOYBGIPZER-UHFFFAOYSA-N- Molecular formula
- C7H11N3O4
- Average molar mass
- 201.18 g/mol
- Monoisotopic mass
- 201.07495584
Names & identifiers
- Preferred name
- 3-Amino-1-(2,3-dihydroxypropyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 3-amino-1-(2,3-dihydroxypropyl)pyrazole-4-carboxylic acid
- English name
- 1H-Pyrazole-4-carboxylicacid,3-amino-1-(2,3-dihydroxypropyl)-(9CI)
- Molecular formula
- C7H11N3O4
- Molecular weight
- 201.17994
Names & synonyms
108194-78-13-Amino-1-(2,3-dihydroxypropyl)-1H-pyrazole-4-carboxylic acidSCHEMBL28584522DTXSID20666501DB-2680151H-PYRAZOLE-4-CARBOXYLIC ACID, 3-AMINO-1-(2,3-DIHYDROXYPROPYL)-1H-Pyrazole-4-carboxylicacid,3-amino-1-(2,3-dihydroxypropyl)-(9CI)
Database identifiers
- CAS
108194-78-1- PubChem CID
- 45089596
- DTXSID
DTXSID20666501
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…