Methylpiperidinopyrazole

Methylpiperidinopyrazole
Identifiers
	IUPAC name 4-[2-(4-hydroxyphenyl)-4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one;
CAS Number	289726-02-9;
PubChem CID	6604927;
ChemSpider	5037183;
Chemical and physical data
Formula	C29H31N3O3
Molar mass	469.585 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1=C(N(NC1=C2C=CC(=O)C=C2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)OCCN5CCCCC5;
	InChI InChI=1S/C29H31N3O3/c1-21-28(22-5-11-25(33)12-6-22)30-32(24-9-13-26(34)14-10-24)29(21)23-7-15-27(16-8-23)35-20-19-31-17-3-2-4-18-31/h5-16,30,34H,2-4,17-20H2,1H3; Key:PFTIONINVMINHE-UHFFFAOYSA-N;

Methylpiperidinopyrazole (MPP) is a synthetic, nonsteroidal, and highly selective antagonist of ERα that is used in scientific research to study the function of this receptor. It has 200-fold selectivity for ERα over ERβ and 1000-fold selectivity for blocking ERα-mediated gene transcription relative to that of ERβ.

Identifiers

IUPAC name 4-[2-(4-hydroxyphenyl)-4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one
CAS Number	289726-02-9
PubChem CID	6604927
ChemSpider	5037183
Chemical and physical data
Formula	C₂₉H₃₁N₃O₃
Molar mass	469.585 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC1=C(N(NC1=C2C=CC(=O)C=C2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)OCCN5CCCCC5
InChI InChI=1S/C29H31N3O3/c1-21-28(22-5-11-25(33)12-6-22)30-32(24-9-13-26(34)14-10-24)29(21)23-7-15-27(16-8-23)35-20-19-31-17-3-2-4-18-31/h5-16,30,34H,2-4,17-20H2,1H3 Key:PFTIONINVMINHE-UHFFFAOYSA-N