2-cyano-N-(furan-2-ylmethyl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enamide
Basic information
- CAS
525575-90-0- Standard SMILES
COc1ccc(-c2n[nH]cc2C=C(C#N)C(=O)NCc2ccco2)cc1- InChIKey
ZKMHLCAITQOMHW-UHFFFAOYSA-N- Molecular formula
- C19H16N4O3
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- 2-cyano-N-(furan-2-ylmethyl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enamide
- IUPAC
- 2-cyano-N-(furan-2-ylmethyl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enamide
- English name
- 2-cyano-N-(2-furylmethyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acrylamide
- Molecular formula
- C19H16N4O3
- Molecular weight
- 348.36
Names & synonyms
2-cyano-N-(2-furylmethyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acrylamide
Database identifiers
- CAS
525575-90-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 562
Physicochemical properties
- Boiling point
- 696.116 · 696.116±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.597 · 10.597±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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