4-[5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl]benzoic acid
Basic information
- CAS
926203-48-7- Standard SMILES
CCOC(=O)c1cnn(-c2ccc(C(=O)O)cc2)c1N- InChIKey
VKZHLZVPPYNFLB-UHFFFAOYSA-N- Molecular formula
- C13H13N3O4
- Average molar mass
- 275.26 g/mol
- Monoisotopic mass
- 275.0906059
Names & identifiers
- Preferred name
- 4-[5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl]benzoic acid
- IUPAC
- 4-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoic acid
- English name
- 5-AMINO-1-(4-CARBOXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C13H13N3O4
- Molecular weight
- 275.26002
Names & synonyms
926203-48-74-[5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl]benzoic acid4-(5-Amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl)benzoic acidMFCD030303424-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoic acid5-Amino-1-(4-carboxy-phenyl)-1H-pyrazole-4-carboxylic acid ethyl esterDTXSID50587614BMB20348SBB079356AKOS000127360CCG-139720EN300-111000
Show more names
4-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoicacid
G219604-[5-amino-4-(ethoxycarbonyl)pyrazolyl]benzoic acidZ554103584-(5-amino-4-ethoxycarbonyl-pyrazol-1-yl)benzoic acid4-(5-Amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl)benzoicacid5-amino-1-(4-carboxyphenyl)-1h-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- CAS
926203-48-7- PubChem CID
- 16740652
- DTXSID
DTXSID50587614
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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