Basic information
- CAS
1354705-84-2- Standard SMILES
CCn1nc(N)c(I)c1C(=O)O- InChIKey
GJWIYCWOIIRFOT-UHFFFAOYSA-N- Molecular formula
- C6H8IN3O2
- Average molar mass
- 281.05 g/mol
- Monoisotopic mass
- 280.96612
Names & identifiers
- Preferred name
- 3-Amino-1-ethyl-4-iodo-1H-pyrazole-5-carboxylic acid
- IUPAC
- 3-amino-1-ethyl-4-iodopyrazole-5-carboxylic acid
Names & synonyms
1354705-84-23-Amino-1-ethyl-4-iodo-1H-pyrazole-5-carboxylic acid3-amino-1-ethyl-4-iodopyrazole-5-carboxylic acid3-Amino-1-ethyl-4-iodo-1H-pyrazole-5-carboxylicacidDTXSID601208540MFCD24539665SBB074190AKOS0159210325-amino-2-ethyl-4-iodopyrazole-3-carboxylic acid1H-Pyrazole-5-carboxylic acid, 3-amino-1-ethyl-4-iodo-
Database identifiers
- CAS
1354705-84-2- PubChem CID
- 60136799
- DTXSID
DTXSID601208540
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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