6-Amino-4-phenyl-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Basic information
- CAS
300393-93-5- Standard SMILES
CCCc1[nH]nc2c1C(c1ccccc1)C(C#N)=C(N)O2- InChIKey
GORPQIWGUYANRU-UHFFFAOYSA-N- Molecular formula
- C16H16N4O
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.13241115
Names & identifiers
- Preferred name
- 6-Amino-4-phenyl-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- English name
- 6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- Molecular formula
- C16H16N4O
- Molecular weight
- 280.32
Names & synonyms
6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile300393-93-56-Amino-4-phenyl-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-AMINO-4-PHENYL-3-PROPYL-1,4-DIHYDROPYRANO(2,3-C)PYRAZOLE-5-CARBONITRILEGORPQIWGUYANRU-UHFFFAOYSA-NMFCD01460386STK050696AKOS000667925AKOS005385546AKOS016346366CCG-106727NCGC00301888-01
Show more names
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1,4-dihydro-4-phenyl-3-propyl-
NCGC00301888-02ST071129ZINC000004453456ZINC000004453457CCCc1n(nH)c2c1C(c1ccccc1)C(=C(O2)N)C#NAB00133624-02AG-690/12950353AK-777/11282008
Database identifiers
- CAS
300393-93-5- PubChem CID
- 608925
- EC Number
- 103-547-4
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Boiling point
- 535.3 · 535.3±50.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 11.54 · 11.54±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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