Basic information
- Standard SMILES
Cn1nc(C(C)(C)C)c(Cl)c1C(=O)O- InChIKey
PWNMMQXAXFGQSW-UHFFFAOYSA-N- Molecular formula
- C9H13ClN2O2
- Average molar mass
- 216.66 g/mol
- Monoisotopic mass
- 216.0665554
Names & identifiers
- Preferred name
- 3-tert-butyl-4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid
- IUPAC
- 3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxylic acid
Names & synonyms
685513-51-33-(tert-butyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid3-tert-butyl-4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid5-tert-butyl-4-chloro-2-methylpyrazole-3-carboxylic acidSCHEMBL2443760PWNMMQXAXFGQSW-UHFFFAOYSA-NMFCD17194001STL315877AKOS015997318VS-11498DB-105728CS-0331361
Show more names
5-tert-butyl-4-chloro-2-methyl-pyrazole-3-carboxylic acid5-tert-Butyl-4-chloro-2-methyl-2H-pyrazole-3-carboxylic acid
Database identifiers
- PubChem CID
- 58425449
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Related reactions
21 records
Linked notes
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