3-tert-butyl-4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 58425449

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

Related reactions

21 records

Linked notes

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