6-Amino-1,4-dihydro-3-methyl-4-(3-nitrophenyl)-1-phenylpyrano[2,3-c]pyrazole-5-carbonitrile
Basic information
- CAS
81000-14-8- Standard SMILES
Cc1nn(-c2ccccc2)c2c1C(c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2- InChIKey
IKKPQOGZZKYVQV-UHFFFAOYSA-N- Molecular formula
- C20H15N5O3
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.11748936
Names & identifiers
- Preferred name
- 6-Amino-1,4-dihydro-3-methyl-4-(3-nitrophenyl)-1-phenylpyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-3-methyl-4-(3-nitrophenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
- English name
- 6-amino-3-methyl-4-(3-nitrophenyl)-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
- Molecular formula
- C20H15N5O3
- Molecular weight
- 373.36
Names & synonyms
81000-14-86-Amino-1,4-dihydro-3-methyl-4-(3-nitrophenyl)-1-phenylpyrano[2,3-c]pyrazole-5-carbonitrile6-Amino-1,4-dihydro-3-methyl-4-(3-nitrophenyl)-1-phenylpyrano(2,3-c)pyrazole-5-carbonitrileRefChem:3070376-amino-3-methyl-4-(3-nitrophenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-3-methyl-4-(3-nitrophenyl)-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrileCambridge id 5224713DTXSID901120931STK004853AKOS000564992AKOS016351022ST026137
Show more names
6-AMINO-3-ME-4-(3-NITRO-PH)-1-PH-1,4-2H-PYRANO(2,3-C)PYRAZOLE-5-CARBONITRILE
AB00075820-01SR-01000507647SR-01000507647-16-amino-3-methyl-4-(3-nitrophenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboni trilePyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1,4-dihydro-3-methyl-4-(3-nitrophenyl)-1-phenyl-
Database identifiers
- CAS
81000-14-8- PubChem CID
- 2835010
- DTXSID
DTXSID901120931- EC Number
- 158-537-2
- Nikkaji
- J1.821.179C
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
Physicochemical properties
- Melting point
- 190 · 190-191 °C(Solv: ethanol (64-17-5))
- Boiling point
- 607.1 · 607.1±55.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 2.65 · 2.65±0.40(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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