METHYLPIPERIDINOPYRAZOLE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H31N3O3
Molecular Weight	469.5747
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(N(NC1=C2C=CC(=O)C=C2)C3=CC=C(O)C=C3)C4=CC=C(OCCN5CCCCC5)C=C4

InChI

InChIKey=PFTIONINVMINHE-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C29H31N3O3
Molecular Weight	469.5747
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Estrogen receptor alpha 127 Target ID: CHEMBL206 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12943986	Neutral Antagonist 4		80.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:34 UTC 2023` Edited by `admin` on `Sat Dec 16 16:57:34 UTC 2023`
Record UNII	GNC6T7K8P2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYLPIPERIDINOPYRAZOLE

Common Name

English

2,5-Cyclohexadien-1-one, 4-[1,2-dihydro-1-(4-hydroxyphenyl)-4-methyl-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-3H-pyrazol-3-ylidene]-

Systematic Name

English

4-[1-(4-Hydroxyphenyl)-4-methyl-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-1H-pyrazol-3-yl]phenol

Systematic Name

English

Phenol, 4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-1H-pyrazol-3-yl]-

Systematic Name

English

Code System Code Type Description

CAS

289726-02-9