3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal
Basic information
- CAS
309727-44-4- Standard SMILES
CN(C)C=C(C=O)c1[nH]ncc1[N+](=O)[O-]- InChIKey
SUGVIGXHFTXDTJ-UHFFFAOYSA-N- Molecular formula
- C8H10N4O3
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.07529019
Names & identifiers
- Preferred name
- 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal
- IUPAC
- 3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal
Names & synonyms
309727-44-43-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enal3-(Dimethylamino)-2-(4-nitro-1H-pyrazol-3-yl)acrylaldehyde3-(dimethylamino)-2-(4-nitro-1H-pyrazol-3-yl)prop-2-enal3-(Dimethylamino)-2-{4-nitro-1H-pyrazol-3-yl}acrylaldehydeSCHEMBL3587849(2{Z})-3-(dimethylamino)-2-(4-nitro-1{H}-pyrazol-3-yl)acrylaldehydeDTXSID50336745SUGVIGXHFTXDTJ-UHFFFAOYSA-NMFCD01872210AKOS030246387
Database identifiers
- CAS
309727-44-4- PubChem CID
- 536016
- DTXSID
DTXSID50336745
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
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Compound notes
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