Propylpyrazoletriol

Propylpyrazoletriol
Identifiers
	IUPAC name 4-[2,3-bis(4-hydroxyphenyl)-4-propyl-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one;
CAS Number	263717-53-9;
PubChem CID	6095481;
ChemSpider	16142497;
UNII	0T83Y6JZPF;
CompTox Dashboard (EPA)	DTXSID9040392 ;
Chemical and physical data
Formula	C24H22N2O3
Molar mass	386.451 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCCC1=C(N(NC1=C2C=CC(=O)C=C2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O;
	InChI InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,25,28-29H,2-3H2,1H3; Key:UOSWGERPQQOSHS-UHFFFAOYSA-N;

Propylpyrazoletriol (PPT) is a synthetic, nonsteroidal agonist of ERα with 400-fold selectivity over ERβ that is used widely in scientific research to study the function of ERα. Though originally thought to be highly selective for ERα, PPT has subsequently been found to also act as an agonist of the GPER (GPR30).

Identifiers

IUPAC name 4-[2,3-bis(4-hydroxyphenyl)-4-propyl-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one
CAS Number	263717-53-9
PubChem CID	6095481
ChemSpider	16142497
UNII	0T83Y6JZPF
CompTox Dashboard (EPA)	DTXSID9040392
Chemical and physical data
Formula	C₂₄H₂₂N₂O₃
Molar mass	386.451 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCCC1=C(N(NC1=C2C=CC(=O)C=C2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,25,28-29H,2-3H2,1H3 Key:UOSWGERPQQOSHS-UHFFFAOYSA-N