6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Basic information
- CAS
331862-15-8- Standard SMILES
COc1cccc(C2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1OC- InChIKey
NMWKXTVRWVZUGE-UHFFFAOYSA-N- Molecular formula
- C22H20N4O3
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.15354051
Overview
6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile is a pyranopyrazole and a ring assembly.
Names & identifiers
- Preferred name
- 6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
- English name
- 6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- Molecular formula
- C22H20N4O3
- Molecular weight
- 388.42
Names & synonyms
6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile331862-15-86-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileMLS002536790CHEMBL1304700CHEBI:109099HMS2294P15STK835144AKOS000658810ST50004137AG-690/37072104Q27188156
Show more names
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(2,3-dimethoxyphenyl)-1,4-dihydro-3-methyl-1-phenyl-
6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-c arbonitrile
Database identifiers
- CAS
331862-15-8- PubChem CID
- 648301
- ChEMBL
CHEMBL1304700- ChEBI
CHEBI:109099- EC Number
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 668
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%)
Chemistry & industry
Additional notes
DefinitionChEBI: 6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile is a ring assembly and a pyranopyrazole.
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Compound notes
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