ethyl 3-amino-4-(4-methyl-1H-pyrazol-1-yl)benzoate
Basic information
- CAS
1291529-54-8- Standard SMILES
CCOC(=O)c1ccc(-n2cc(C)cn2)c(N)c1- InChIKey
UPMUABUJXPXPDA-UHFFFAOYSA-N- Molecular formula
- C13H15N3O2
- Average molar mass
- 245.28 g/mol
- Monoisotopic mass
- 245.11642673
Names & identifiers
- Preferred name
- ethyl 3-amino-4-(4-methyl-1H-pyrazol-1-yl)benzoate
- IUPAC
- ethyl 3-amino-4-(4-methylpyrazol-1-yl)benzoate
Names & synonyms
ethyl 3-amino-4-(4-methyl-1H-pyrazol-1-yl)benzoate1291529-54-8DTXSID401170612AKOS010565740EN300-14579904Benzoic acid, 3-amino-4-(4-methyl-1H-pyrazol-1-yl)-, ethyl ester
Database identifiers
- CAS
1291529-54-8- PubChem CID
- 61311701
- DTXSID
DTXSID401170612
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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