6-Amino-4-(4-bromophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Basic information
- CAS
312509-90-3- Standard SMILES
CCCc1[nH]nc2c1C(c1ccc(Br)cc1)C(C#N)=C(N)O2- InChIKey
ANVPJXGSBXATQE-UHFFFAOYSA-N- Molecular formula
- C16H15BrN4O
- Average molar mass
- 359.22 g/mol
- Monoisotopic mass
- 358.04292
Names & identifiers
- Preferred name
- 6-Amino-4-(4-bromophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-(4-bromophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- English name
- 6-Amino-4-(4-bromophenyl)-3-Pr-1,4-dihydropyrano(2,3-c)pyrazole-5-carbonitrile
- Molecular formula
- C16H15BrN4O
- Molecular weight
- 359.22
Names & synonyms
6-amino-4-(4-bromophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-(4-bromophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileHTS06597STK788461AKOS001741704AKOS016305822SR-01000522806SR-01000522806-16-AMINO-4-(4-BROMOPHENYL)-3-PR-1,4-DIHYDROPYRANO(2,3-C)PYRAZOLE-5-CARBONITRILE6-amino-4-(4-bromophenyl)-3-propyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrilePyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(4-bromophenyl)-1,4-dihydro-3-propyl-
Database identifiers
- CAS
312509-90-3- PubChem CID
- 3987455
- EC Number
- 140-654-5
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Boiling point
- 569.64 · 569.640±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.577 · 1.577±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.935 · 9.935±0.10(predicted)
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Compound notes
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