N-(1-Phenyl-4,5-dihydro-1H-pyrazol-3-yl)-phthalamic acid

Base Information

• Chemical Name: N-(1-Phenyl-4,5-dihydro-1H-pyrazol-3-yl)-phthalamic acid
• CAS No.: 304661-57-2
• Molecular Formula: C17H15 N3 O3
• Molecular Weight: 308.3119
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID70354421
• Wikidata: Q82132540
• ChEMBL ID: CHEMBL1487350
• Mol file: 304661-57-2.mol

Synonyms:304661-57-2;N-(1-Phenyl-4,5-dihydro-1H-pyrazol-3-yl)-phthalamic acid;2-[(2-phenyl-3,4-dihydropyrazol-5-yl)carbamoyl]benzoic acid;2-((1-Phenyl-4,5-dihydro-1H-pyrazol-3-yl)carbamoyl)benzoic acid;2-[(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)carbamoyl]benzoic acid;CBMicro_031971;MLS001211493;CHEMBL1487350;DTXSID70354421;HMS1674F05;HMS2867J06;N-(1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL)PHTHALAMIC ACID;AKOS000301265;SMR000515106;BIM-0031714.P001;CS-0364003;SR-01000409786;SR-01000409786-1;BRD-K88697394-001-08-0;2-(1-phenyl-4,5-dihydro-1H-pyrazol-3-ylcarbamoyl)benzoic acid;n-(1-phenyl-4,5-dihydro-1 h-pyrazol-3-yl)-phthalamic acid;N-(1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL)-PHTHALAMICACID

Chemical Property of N-(1-Phenyl-4,5-dihydro-1H-pyrazol-3-yl)-phthalamic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 3.52±0.36(Predicted)
• Flash Point: °C
• PSA: 82.00000
• Density: g/cm³
• LogP: 2.22990
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 309.11134135
• Heavy Atom Count: 23
• Complexity: 486

Purity/Quality:

98%min ^*data from raw suppliers

2-((1-Phenyl-4,5-dihydro-1H-pyrazol-3-yl)carbamoyl)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(N=C1NC(=O)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3