Basic information
- CAS
445245-77-2- Standard SMILES
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12- InChIKey
FDSJYPCCSNXYOF-UHFFFAOYSA-N- Molecular formula
- C21H15F2N5O4
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 439.1092103
Names & identifiers
- Preferred name
- 7-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
- IUPAC
- 7-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
- English name
- 7-(difluoromethyl)-N-{4-nitro-2-methoxyphenyl}-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
- Molecular formula
- C21H15F2N5O4
- Molecular weight
- 439.3717064
Names & synonyms
7-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamideAK-968/41026033STK961017AKOS0039873847-(difluoromethyl)-N-{4-nitro-2-methoxyphenyl}-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Database identifiers
- CAS
445245-77-2- PubChem CID
- 4149753
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 675
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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