Basic information
- Standard SMILES
C=CCOC(=O)c1c(N)n[nH]c1N- InChIKey
QPTWDVFFLRWIAM-UHFFFAOYSA-N- Molecular formula
- C7H10N4O2
- Average molar mass
- 182.18 g/mol
Names & identifiers
- Preferred name
- Allyl 3,5-diamino-1H-pyrazole-4-carboxylate
- IUPAC
- prop-2-enyl 3,5-diamino-1H-pyrazole-4-carboxylate
Names & synonyms
Allyl 3,5-diamino-1H-pyrazole-4-carboxylate1613191-73-3MFCD27996731prop-2-enyl 3,5-diamino-1H-pyrazole-4-carboxylateprop-2-en-1-yl 3,5-diamino-1H-pyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, 2-propen-1-yl esterAllyl 35-diamino-1H-pyrazole-4-carboxylateSCHEMBL15770112QPTWDVFFLRWIAM-UHFFFAOYSA-NAKOS022189943SS-4915DA-43772
Show more names
Allyl3,5-diamino-1H-pyrazole-4-carboxylateW13113
Database identifiers
- PubChem CID
- 73554792
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Related reactions
11 records
Compound notes
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