Completing data — usually done within a minute
Basic information
- CAS
326827-24-1- Standard SMILES
CC(C)(C)OC(=O)n1nc([N+](=O)[O-])cc1C1CC1- InChIKey
LMUYVLHSNSWJQM-UHFFFAOYSA-N- Molecular formula
- C11H15N3O4
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.10625596
Names & identifiers
- Preferred name
- tert-butyl-3-nitro-5-cyclopropyl-1H-pyrazole-1-carboxylate
- IUPAC
- tert-butyl 5-cyclopropyl-3-nitropyrazole-1-carboxylate
Names & synonyms
326827-24-1SCHEMBL5597663tert-butyl 5-cyclopropyl-3-nitro-1H-pyrazole-1-carboxylatetert-butyl-3-nitro-5-cyclopropyl-1H-pyrazole-1-carboxylateLMUYVLHSNSWJQM-UHFFFAOYSA-NDTXSID6011678131,1-Dimethylethyl 5-cyclopropyl-3-nitro-1H-pyrazole-1-carboxylate
Database identifiers
- CAS
326827-24-1- PubChem CID
- 11265267
- DTXSID
DTXSID601167813- Nikkaji
- J2.135.381G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Related reactions
2 records
Compound notes
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