Basic information
- CAS
861135-88-8- Standard SMILES
COC(=O)c1cnn(C(C)(C)C)c1- InChIKey
YEOYQRAVBNYTFP-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- Methyl 1-t-butyl-pyrazole-4-carboxylate
- IUPAC
- methyl 1-tert-butylpyrazole-4-carboxylate
Names & synonyms
methyl 1-t-butyl-pyrazole-4-carboxylate861135-88-8methyl 1-tert-butylpyrazole-4-carboxylateMethyl 1-(1,1-dimethylethyl)-1H-pyrazole-4-carboxylatemethyl 1-tert-butyl-1H-pyrazole-4-carboxylateSCHEMBL3760808YEOYQRAVBNYTFP-UHFFFAOYSA-NDTXSID701209189methyl 1-t-butyl-1H-pyrazole-4-carboxylateMethyl 1-(tert-butyl)-1H-pyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 1-(1,1-dimethylethyl)-, methyl ester
Database identifiers
- CAS
861135-88-8- PubChem CID
- 57736385
- DTXSID
DTXSID701209189
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Related reactions
3 records
Compound notes
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