6-Amino-4-{2-[(4-chlorobenzyl)oxy]phenyl}-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Basic information
- CAS
371138-91-9- Standard SMILES
CCCc1[nH]nc2c1C(c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2- InChIKey
HEFDXLYESPNCTQ-UHFFFAOYSA-N- Molecular formula
- C23H21ClN4O2
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 420.1353036
Names & identifiers
- Preferred name
- 6-Amino-4-{2-[(4-chlorobenzyl)oxy]phenyl}-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- English name
- 6-amino-4-{2-[(4-chlorobenzyl)oxy]phenyl}-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- Molecular formula
- C23H21ClN4O2
- Molecular weight
- 420.89
Names & synonyms
6-amino-4-{2-[(4-chlorobenzyl)oxy]phenyl}-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile371138-91-96-amino-4-(2-((4-chlorobenzyl)oxy)phenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileSTK840204AKOS003684332AM-807/12427359Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-2,4-dihydro-3-propyl-
Database identifiers
- CAS
371138-91-9- PubChem CID
- 2962028
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 669
Physicochemical properties
- Boiling point
- 650.1 · 650.1±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 11.81 · 11.81±0.70(Predicted)
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Compound notes
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