(3,5-Diphenyl-pyrazol-1-yl)-acetic acid

Pyrazole-1-acetic Acid, 3,5-diphenyl- · 3,5-diphenyl-1H-Pyrazole-1-acetic acid · (3,5-Diphenyl-pyrazol-1-yl)-acetic acid · 1H-pyrazole-1-acetic acid, 3,5-diphenyl- · 2-[3,5-di(phenyl)pyrazol-1-yl]acetic acid · 2-[3,5-di(phenyl)-1-pyrazolyl]acetic acid · (3,5-DIPHENYL-1H-PYRAZOL-1-YL)ACETIC ACID · 2-(3,5-diphenyl-1H-pyrazol-1-yl)acetic acid

https://huagongshe.com/en/chemical/824607

(3,5-Diphenyl-pyrazol-1-yl)-acetic acid molecular structure

Identifiers & Physical Properties

CAS No.	93323-67-2
Molecular formula	C17H14N2O2
Average molar mass	278.3 g/mol
Monoisotopic mass	278.10552769 g/mol
SMILES	O=C(O)Cn1nc(-c2ccccc2)cc1-c1ccccc1
InChIKey	IIHJYPFNYZEWPS-UHFFFAOYSA-N
PubChem CID	824607
ChEMBL	CHEMBL1702330
DTXSID	DTXSID40356452

Chemical & Physical Properties

XLogP	3.3
Topological polar surface area	55.1
Hydrogen bond donors	1
Hydrogen bond acceptors	3
Rotatable bonds	4
Heavy atoms	21
Formal charge	0
Complexity	349
Solubility	>41.7 [ug/mL] (The mean of the results at pH 7.4)
Boiling point	496.2±33.0 °C(Predicted)
Density	1.20±0.1 g/cm3(Predicted)
Storage conditions	2-8°C
pKa (acidity coefficient)	3.59±0.10(Predicted)
Appearance	White to off-white Solid
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
Hazard symbols	Xi
Hazard class	IRRITANT

Safety & Regulations

Signal word	Warning
GHS pictogram	GHS07
Hazard symbols	Xi
Hazard class	IRRITANT
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501