6-Amino-4-(4-hydroxyphenyl)-1-phenyl-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Basic information
- CAS
371926-59-9- Standard SMILES
CCCc1nn(-c2ccccc2)c2c1C(c1ccc(O)cc1)C(C#N)=C(N)O2- InChIKey
QSJIBXBGQSLKPG-UHFFFAOYSA-N- Molecular formula
- C22H20N4O2
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.15862589
Names & identifiers
- Preferred name
- 6-Amino-4-(4-hydroxyphenyl)-1-phenyl-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-(4-hydroxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
- English name
- 6-amino-4-(4-hydroxyphenyl)-1-phenyl-3-propyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
- Molecular formula
- C22H20N4O2
- Molecular weight
- 372.42
Names & synonyms
6-amino-4-(4-hydroxyphenyl)-1-phenyl-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile371926-59-96-amino-4-(4-hydroxyphenyl)-1-phenyl-3-propyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-(4-hydroxyphenyl)-1-phenyl-3-propyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrileSTK014215AKOS002170265AKOS016187674ST50055910F1798-06456-amino-4-(4-hydroxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbo nitrile6-AMINO-4-(4-HO-PH)-1-PH-3-PR-1,4-DIHYDROPYRANO(2,3-C)PYRAZOLE-5-CARBONITRILEPyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1,4-dihydro-4-(4-hydroxyphenyl)-1-phenyl-3-propyl-
Database identifiers
- CAS
371926-59-9- PubChem CID
- 5215964
- EC Number
- 115-379-9
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 628
Physicochemical properties
- Melting point
- 205.8 °C · 205.8 °C
- Boiling point
- 610.3 · 610.3±55.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 9 · 9+-.0.30(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, P273, 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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