2-[(1-Methyl-1H-pyrazole-3-carbonyl)-amino]-benzoic acid
Basic information
- CAS
385383-59-5- Standard SMILES
Cn1ccc(C(=O)Nc2ccccc2C(=O)O)n1- InChIKey
HCUCUHFEEJYUHU-UHFFFAOYSA-N- Molecular formula
- C12H11N3O3
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.08004122
Names & identifiers
- Preferred name
- 2-[(1-Methyl-1H-pyrazole-3-carbonyl)-amino]-benzoic acid
- IUPAC
- 2-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid
- English name
- 2-[(1-Methyl-1H-pyrazole-3-carbonyl)-amino]-benzoic acid
- Molecular formula
- C12H11N3O3
- Molecular weight
- 245.23
Names & synonyms
385383-59-52-[(1-Methyl-1H-pyrazole-3-carbonyl)-amino]-benzoic acid2-[(1-methylpyrazole-3-carbonyl)amino]benzoic acidOprea1_514828Oprea1_679882DTXSID70352462Benzoicacid, 2-[[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino]-AKOS000301157ST029040SR-010003705212-(1-Methyl-1H-pyrazole-3-carboxamido)benzoic acidSR-01000370521-1
Show more names
TIMTEC-BB SBB001489BENZOIC ACID, 2[[(1-METHYL-1H-PYRAZOL-3-YL)CARBONYL]AMINO]-
2-[(1-methylpyrazol-3-yl)carbonylamino]benzoic acid2-[(1-Methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid
Database identifiers
- CAS
385383-59-5- PubChem CID
- 727100
- DTXSID
DTXSID70352462
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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