Basic information
- Standard SMILES
CC(C)(C)c1cc(NC(=O)OCC(Cl)(Cl)Cl)n(-c2cccc(CO)c2)n1- InChIKey
MGIGYOQSQCNVPT-UHFFFAOYSA-N- Molecular formula
- C17H20Cl3N3O3
- Average molar mass
- 420.7 g/mol
- Monoisotopic mass
- 419.057025
Names & identifiers
- Preferred name
- [5-tert-Butyl-2-(3-hydroxymethyl-phenyl)-2H-pyrazol-3-yl]-carbamic acid 2,2,2-trichloro-ethyl ester
- IUPAC
- 2,2,2-trichloroethyl N-[3-tert-butyl-1-[3-(hydroxymethyl)phenyl]pyrazol-5-yl]carbamate
Names & synonyms
SCHEMBL15007629MGIGYOQSQCNVPT-UHFFFAOYSA-N[5-tert-Butyl-2-(3-hydroxymethyl-phenyl)-2H-pyrazol-3-yl]-carbamic acid 2,2,2-trichloro-ethyl ester
Database identifiers
- PubChem CID
- 86687007
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 482
Related reactions
20 records
Compound notes
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