5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol

C18H19F3N2O3 — CID 156590486

IUPAC5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol
SMILESCOc1ccc(C2C(c3ccc(OC)cc3O)NNC2C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O3/c1-25-11-5-3-10(4-6-11)15-16(22-23-17(15)18(19,20)21)13-8-7-12(26-2)9-14(13)24/h3-9,15-17,22-24H,1-2H3
InChIKeyWAINRBMKYQRGGK-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.27
Rot. Bonds4

About 5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol

5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol (PubChem CID 156590486) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol
PubChem CID156590486
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol
SMILESCOc1ccc(C2C(c3ccc(OC)cc3O)NNC2C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O3/c1-25-11-5-3-10(4-6-11)15-16(22-23-17(15)18(19,20)21)13-8-7-12(26-2)9-14(13)24/h3-9,15-17,22-24H,1-2H3
InChIKeyWAINRBMKYQRGGK-UHFFFAOYSA-N
XLogP3.27
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-4-yl]ethanamine
CID 73386093
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 76850579
5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
CID 164664263
2-[4-(3,4-dimethoxyphenyl)-5-methylpyrazolidin-3-yl]-5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenol
CID 156591805
4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol
CID 166448551
1-methoxy-4-[(1S,2S,3S)-2-nitro-3-(trifluoromethyl)cyclopropyl]benzene
CID 177399806
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-methoxyphenol
CID 66511004
[(4aR,9S,10S,10aS)-6-methoxy-10-(4-methoxyphenyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-yl]methanol
CID 59504470
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842
5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol
CID 134693745
5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
CID 61263630
6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol
CID 89137797

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol?
The IUPAC name of 5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol (CID 156590486) is 5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol?
The canonical SMILES for 5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol is COc1ccc(C2C(c3ccc(OC)cc3O)NNC2C(F)(F)F)cc1.
What is the InChIKey of 5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol?
The InChIKey is WAINRBMKYQRGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-25-11-5-3-10(4-6-11)15-16(22-23-17(15)18(19,20)21)13-8-7-12(26-2)9-14(13)24/h3-9,15-17,22-24H,1-2H3.
What are the key properties of 5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol?
5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol has a molecular weight of 368.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol is sourced from PubChem (CID 156590486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).