Basic information
- Standard SMILES
Cc1[nH]ncc1C(=O)NNC(=O)/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1- InChIKey
ODDMRWATJPOZIC-IHWYPQMZSA-N- Molecular formula
- C18H13F6N7O2
- Average molar mass
- 473.3 g/mol
- Monoisotopic mass
- 473.10349166
Names & identifiers
- Preferred name
- (Z)-N'-(3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acryloyl)-5-methyl-1H-pyrazole-4-carbohydrazide
- IUPAC
- N'-[(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoyl]-5-methyl-1H-pyrazole-4-carbohydrazide
Names & synonyms
(Z)-N'-(3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acryloyl)-5-methyl-1H-pyrazole-4-carbohydrazideSCHEMBL15615870
Database identifiers
- PubChem CID
- 72203358
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 725
Related reactions
2 records
Compound notes
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