ST041103
Basic information
- CAS
5772-84-9- Standard SMILES
O=C(Nc1ccc(Cl)cc1)c1ccn[nH]1- InChIKey
NQZSOSXQUPMCTP-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3O
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.0355896
Names & identifiers
- Preferred name
- ST041103
- IUPAC
- N-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
- English name
- N-(4-Chlorophenyl)-1H-pyrazole-3-carboxamide
- Molecular formula
- C10H8ClN3O
- Molecular weight
- 221.64302
Names & synonyms
5772-84-9ST041103DTXSID10349917RefChem:381368DTXCID10300987N-(4-Chlorophenyl)-1H-pyrazole-3-carboxamide305346-19-4N-(4-chlorophenyl)-1H-pyrazole-5-carboxamide1H-pyrazole-3-carboxamide, N-(4-chlorophenyl)-HMS1542H07TimTec1_002977N-(4-CHLOROPHENYL)-2H-PYRAZOLE-3-CARBOXAMIDE
Show more names
ZINC00028525
SCHEMBL232460234-chlorophenyl pyrazole carboxamideALBB-018744AKOS000321779N-(4-chlorophenyl)pyrazol-3-ylcarboxamideEU-0015601SR-01000112553SR-01000112553-1
Database identifiers
- CAS
5772-84-9- PubChem CID
- 668388
- DTXSID
DTXSID10349917
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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