5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxamide
Basic information
- CAS
204251-18-3- Standard SMILES
Cc1nn(C)c(Cl)c1C(N)=O- InChIKey
NFSKLGKDBGHLJH-UHFFFAOYSA-N- Molecular formula
- C6H8ClN3O
- Average molar mass
- 173.6 g/mol
- Monoisotopic mass
- 173.0355896
Names & identifiers
- Preferred name
- 5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxamide
- IUPAC
- 5-chloro-1,3-dimethylpyrazole-4-carboxamide
Names & synonyms
5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxamide204251-18-35-chloro-1,3-dimethylpyrazole-4-carboxamideMFCD01569079MLS000721751SCHEMBL5290793CHEMBL1904438DTXSID801329283HMS2671C08AKOS00624277911N-575SSMR000335225
Show more names
5-chloro-1,3-dimethyl-pyrazole-4-carboxamide
Database identifiers
- CAS
204251-18-3- PubChem CID
- 1474979
- DTXSID
DTXSID801329283- ChEMBL
CHEMBL1904438
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Experimental & physicochemical properties
Solubility24.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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