Completing data — usually done within a minute
Basic information
- CAS
21253-62-3- Standard SMILES
CCOC(=O)c1cnn(C2CCCCC2)c1N- InChIKey
NQLJJSMRVILYQD-UHFFFAOYSA-N- Molecular formula
- C12H19N3O2
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.14772685
Names & identifiers
- Preferred name
- ethyl 5-amino-1-cyclohexyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-amino-1-cyclohexylpyrazole-4-carboxylate
Names & synonyms
21253-62-3ethyl 5-amino-1-cyclohexyl-1H-pyrazole-4-carboxylate5-amino-1-cyclohexyl-1H-pyrazole-4-carboxylic acid ethyl esterETHYL 5-AMINO-1-CYCLOHEXYL-PYRAZOLE-4-CARBOXYLATEethyl 5-amino-1-cyclohexylpyrazole-4-carboxylateNSC517984SCHEMBL1407107DTXSID60325781TQP0078NQLJJSMRVILYQD-UHFFFAOYSA-NMFCD01053016AKOS010523667
Show more names
NSC-517984DS-001485CS-0336459A1-00216
Database identifiers
- CAS
21253-62-3- PubChem CID
- 351028
- DTXSID
DTXSID60325781
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Related reactions
8 records
Compound notes
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