6-Amino-4-{3-[(4-cyanophenyl)methoxy]phenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Basic information
- CAS
5360-10-1- Standard SMILES
Cc1[nH]nc2c1C(c1cccc(OCc3ccc(C#N)cc3)c1)C(C#N)=C(N)O2- InChIKey
ZZWTYIDPHLRTJG-UHFFFAOYSA-N- Molecular formula
- C22H17N5O2
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.1382248
Names & identifiers
- Preferred name
- 6-Amino-4-{3-[(4-cyanophenyl)methoxy]phenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-[3-[(4-cyanophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Names & synonyms
5360-10-1DTXSID004112336-Amino-4-{3-[(4-cyanophenyl)methoxy]phenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Database identifiers
- CAS
5360-10-1- PubChem CID
- 5223429
- DTXSID
DTXSID00411233
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 726
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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