N,N-Dimethyl-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-terephthalamic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1ccc(C(=O)N(C)C)c(-c2c(C)nn(C)c2C)c1- InChIKey
UVJHUHINDRBPOV-UHFFFAOYSA-N- Molecular formula
- C17H21N3O3
- Average molar mass
- 315.37 g/mol
- Monoisotopic mass
- 315.15829154
Names & identifiers
- Preferred name
- N,N-Dimethyl-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-terephthalamic acid methyl ester
- IUPAC
- methyl 4-(dimethylcarbamoyl)-3-(1,3,5-trimethylpyrazol-4-yl)benzoate
Names & synonyms
SCHEMBL110497UVJHUHINDRBPOV-UHFFFAOYSA-NN,N-Dimethyl-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-terephthalamic acid methyl ester
Database identifiers
- PubChem CID
- 66599461
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Related reactions
1 records
Compound notes
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