ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
Basic information
- CAS
14678-87-6- Standard SMILES
CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1N- InChIKey
IWCZALNAGZMKIV-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O2
- Average molar mass
- 265.69 g/mol
- Monoisotopic mass
- 265.0618043
Names & identifiers
- Preferred name
- ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-amino-1-(4-chlorophenyl)pyrazole-4-carboxylate
- English name
- 5-AMINO-1-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C12H12ClN3O2
- Molecular weight
- 265.7
Names & synonyms
14678-87-6ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylateDTXSID10399336RefChem:344230DTXCID60350194ethyl 5-amino-1-(4-chlorophenyl)pyrazole-4-carboxylateMFCD009739055-AMINO-1-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-chlorophenyl)-, ethyl esterEthyl 5-amino-1-(4-chlorophenyl)-pyrazole-4-carboxylateF2135-0799IWCZALNAGZMKIV-UHFFFAOYSA-N
Show more names
5-amino-1-(4-chlorophenyl)pyrazole-4-carboxylic acid ethyl ester5-amino-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid ethyl ester
SCHEMBL6527991BUTTPARK 19\09-71SMSSF-0017453ALBB-017980AKOS BBS-00004494SALOR-INT L251445-1EABBL012909SBB040970
Database identifiers
- CAS
14678-87-6- PubChem CID
- 4101804
- DTXSID
DTXSID10399336
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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