Basic information
- CAS
93323-67-2- Standard SMILES
O=C(O)Cn1nc(-c2ccccc2)cc1-c1ccccc1- InChIKey
IIHJYPFNYZEWPS-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10552769
Names & identifiers
- Preferred name
- (3,5-Diphenyl-pyrazol-1-yl)-acetic acid
- IUPAC
- 2-(3,5-diphenylpyrazol-1-yl)acetic acid
- English name
- (3,5-Diphenyl-pyrazol-1-yl)-acetic acid
- Molecular formula
- C17H14N2O2
- Molecular weight
- 278.31
Names & synonyms
93323-67-2(3,5-Diphenyl-pyrazol-1-yl)-acetic acidDTXSID40356452RefChem:207430DTXCID503075112-(3,5-diphenyl-1H-pyrazol-1-yl)acetic acid(3,5-diphenyl-1H-pyrazol-1-yl)acetic acid2-(3,5-diphenylpyrazol-1-yl)acetic acidMFCD002998971H-Pyrazole-1-aceticacid, 3,5-diphenyl-1H-pyrazole-1-acetic acid, 3,5-diphenyl-2-(3,5-diphenylpyrazolyl)acetic acid
Show more names
Pyrazole-1-acetic Acid, 3,5-diphenyl-3,5-diphenyl-1H-Pyrazole-1-acetic acid2-[3,5-di(phenyl)pyrazol-1-yl]acetic acid2-[3,5-di(phenyl)-1-pyrazolyl]acetic acid2-[3,5-di(phenyl)pyrazol-1-yl]ethanoic acid
ChemDiv2_002855MLS001201420CHEMBL1702330SCHEMBL14972945IIHJYPFNYZEWPS-UHFFFAOYSA-NHMS1377B17HMS2846I13ALBB-009741
Database identifiers
- CAS
93323-67-2- PubChem CID
- 824607
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
Solubility>41.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 496.2 · 496.2±33.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.59 · 3.59±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P304+P340-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338-P304+P340-P405-P501
Chemistry & industry
Suppliers18 total
ShanghaiFineBiotechCoLtd+8618717800556 18717800556 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
武汉格莱菲医药科技有限公司18995639250
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
2 records
Compound notes
Loading…