Propyl pyrazole triol
4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol
Molecular Identity
Propyl pyrazole triol
4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol
PubChem CID: 5040063
4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol is a pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERalpha over ERbeta. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo. It has a role as an estrogen receptor agonist. It is a member of pyrazoles and a member of phenols.
2D Structure
Properties
C24H22N2O3
Molecular Formula
386.40
Molecular Weight
g/mol
386.1630
Exact Mass
Da
5.5
XLogP
Above Lipinski threshold
78.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
494
Complexity
SMILES
Canonical SMILES
SMILES: CCCC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)OIsomeric SMILES
SMILES: CCCC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)OSynonyms(20)
263717-53-9propyl pyrazole triolPROPYLPYRAZOLETRIOLDTXSID9040392RefChem:1097032DTXCID7020392PPT4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)triphenol1,3,5-Tris(4-hydroxyphenyl)-4-propyl-1H-pyrazolePhenol, 4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)tris-C24H22N2O30T83Y6JZPF4,4',4''-(4-propyl-(1H)-pyrazole-1,3,5-triyl)trisphenol1,3,5-tris(4-hydroxyphenyl)-4-propylpyrazole4-[2,5-BIS(4-HYDROXYPHENYL)-4-PROPYLPYRAZOL-3-YL]PHENOL
Data from PubChem (NCBI)
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Trials and conditions connected to Propyl pyrazole triol
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