Basic information
- CAS
385403-01-0- Standard SMILES
CCc1[nH]nc2c1C(c1cccc(Cl)c1)C(C#N)=C(N)O2- InChIKey
IGSQCHAPMYRKTD-UHFFFAOYSA-N- Molecular formula
- C15H13ClN4O
- Average molar mass
- 300.74 g/mol
- Monoisotopic mass
- 300.0777887
Names & identifiers
- Preferred name
- 6-Amino-4-(3-chlorophenyl)-3-ethyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-(3-chlorophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- English name
- 6-amino-4-(3-chlorophenyl)-3-ethyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- Molecular formula
- C15H13ClN4O
- Molecular weight
- 300.74
Names & synonyms
6-amino-4-(3-chlorophenyl)-3-ethyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileSTK097607AKOS002170239AKOS016295591ST50055881AF-399/150323616-AMINO-4-(3-CHLOROPHENYL)-3-ET-1,4-DIHYDROPYRANO(2,3-C)PYRAZOLE-5-CARBONITRILE6-amino-4-(3-chlorophenyl)-3-ethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrilePyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(3-chlorophenyl)-3-ethyl-1,4-dihydro-
Database identifiers
- CAS
385403-01-0- PubChem CID
- 3926451
- EC Number
- 124-712-7
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Boiling point
- 550.9 · 550.9±50.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 11.53 · 11.53±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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