Basic information
- CAS
72499-55-9- Standard SMILES
CCOC(=O)Nc1c(CC(C)(C)O)n[nH]c1C- InChIKey
UVXMPNZKKDVBED-UHFFFAOYSA-N- Molecular formula
- C11H19N3O3
- Average molar mass
- 241.29 g/mol
- Monoisotopic mass
- 241.14264148
Names & identifiers
- Preferred name
- ethyl N-[3-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazol-4-yl]carbamate
- IUPAC
- ethyl N-[3-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazol-4-yl]carbamate
Names & synonyms
72499-55-9NSC345657ethyl N-[3-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazol-4-yl]carbamateDTXSID30319450NSC-345657Ethyl [3-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazol-4-yl]carbamate
Database identifiers
- CAS
72499-55-9- PubChem CID
- 335535
- DTXSID
DTXSID30319450
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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