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Basic information
- Standard SMILES
COC(=O)c1cc(-c2ccnn2C(C)C)c(C(C)(F)F)cc1N- InChIKey
ATZULTOUASJKRO-UHFFFAOYSA-N- Molecular formula
- C16H19F2N3O2
- Average molar mass
- 323.34 g/mol
Names & identifiers
- Preferred name
- 2-amino-4-(1,1-difluoro-ethyl)-5-(2-isopropyl-2H-pyrazol-3-yl)-benzoic acid methyl ester
- IUPAC
- methyl 2-amino-4-(1,1-difluoroethyl)-5-(2-propan-2-ylpyrazol-3-yl)benzoate
Names & synonyms
2-amino-4-(1,1-difluoro-ethyl)-5-(2-isopropyl-2H-pyrazol-3-yl)-benzoic acid methyl esterSCHEMBL2389272
Database identifiers
- PubChem CID
- 59164530
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 434
Related reactions
7 records
Compound notes
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