Basic information
- CAS
330158-65-1- Standard SMILES
COc1ccc(C2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1- InChIKey
WRINBBKPZKSBMR-UHFFFAOYSA-N- Molecular formula
- C20H16N4O2
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.12732577
Names & identifiers
- Preferred name
- 6-Amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- English name
- 6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- Molecular formula
- C20H16N4O2
- Molecular weight
- 344.37
Names & synonyms
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-(4-methoxyphenyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileOprea1_228801Oprea1_341622Oprea1_817016STK744133AKOS000675459AKOS003233956AKOS016349058AKOS021990586CCG-106730WAY-320373
Show more names
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1,4-dihydro-4-(4-methoxyphenyl)-3-phenyl-
6-AMINO-4-(4-METHOXYPHENYL)-3-PHENYL-2H,4H-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILEST071131AG-690/12950358AK-777/11282102SR-01000434707SR-01000434707-16-amino-4-(4-methoxyphenyl)-3-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Database identifiers
- CAS
330158-65-1- PubChem CID
- 3125753
- Nikkaji
- J3.663.100G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 584
Physicochemical properties
- Melting point
- 230 °C · 230 °C(Solv: ethanol (64-17-5))
- Boiling point
- 631.6 · 631.6±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 10.6 · 10.60±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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