6-Amino-3-methyl-4-(2-nitrophenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Basic information
- CAS
300804-47-1- Standard SMILES
Cc1nn(-c2ccccc2)c2c1C(c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2- InChIKey
CMQNJXXDAHODHG-UHFFFAOYSA-N- Molecular formula
- C20H15N5O3
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.11748936
Names & identifiers
- Preferred name
- 6-Amino-3-methyl-4-(2-nitrophenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-3-methyl-4-(2-nitrophenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Names & synonyms
6-amino-3-methyl-4-(2-nitrophenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileSTK725702AKOS000571954AKOS0163514576-amino-3-methyl-4-(2-nitrophenyl)-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile6-amino-3-methyl-4-(2-nitrophenyl)-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile300804-47-1ST024839AG-205/40125184SR-01000408374SR-01000408374-16-amino-3-methyl-4-(2-nitrophenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboni trile
Show more names
6-amino-4-{2-nitrophenyl}-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Database identifiers
- CAS
300804-47-1- PubChem CID
- 2835009
- EC Number
- 167-930-8
- Nikkaji
- J3.577.258H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 690
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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