5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine

C18H17F3N6O — CID 174214668

IUPAC5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine
SMILESFC(F)(F)c1ccc(COC2CNCC2n2cc(-c3cncnc3)nn2)cc1
InChIInChI=1S/C18H17F3N6O/c19-18(20,21)14-3-1-12(2-4-14)10-28-17-8-22-7-16(17)27-9-15(25-26-27)13-5-23-11-24-6-13/h1-6,9,11,16-17,22H,7-8,10H2
InChIKeySPKRNOSMSYBQEW-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.48
Rot. Bonds5

About 5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine

5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine (PubChem CID 174214668) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is 5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine.

Molecular Properties

Compound Name5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine
PubChem CID174214668
Molecular FormulaC18H17F3N6O
Molecular Weight390.37 g/mol
Exact Mass390.14
IUPAC Name5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine
SMILESFC(F)(F)c1ccc(COC2CNCC2n2cc(-c3cncnc3)nn2)cc1
InChIInChI=1S/C18H17F3N6O/c19-18(20,21)14-3-1-12(2-4-14)10-28-17-8-22-7-16(17)27-9-15(25-26-27)13-5-23-11-24-6-13/h1-6,9,11,16-17,22H,7-8,10H2
InChIKeySPKRNOSMSYBQEW-UHFFFAOYSA-N
XLogP2.48
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrazine
CID 166100772
1-[(3R,4R)-3-(4-pyrimidin-5-yltriazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]prop-2-en-1-one
CID 166100714
N-methyl-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazole-4-carboxamide
CID 174214649
(3R,4R)-3-(4-pyridin-3-yltriazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine-1-carboxylic acid
CID 174214546
1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrazole-3-carbonitrile
CID 174214788
N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]-1H-imidazole-5-sulfonamide
CID 166100921
tert-butyl (3R,4R)-3-(4-pyridin-3-yltriazol-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrrolidine-1-carboxylate
CID 166100922
tert-butyl 3-[4-(2-methylsulfanylpyrimidin-4-yl)triazol-1-yl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine-1-carboxylate
CID 174214663
tert-butyl 3-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-4-(4-pyridin-3-yltriazol-1-yl)pyrrolidine-1-carboxylate
CID 174214530
tert-butyl 3-[4-(oxan-4-yl)triazol-1-yl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine-1-carboxylate
CID 174214595
1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole
CID 113414938
1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
CID 150482255

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine?
The IUPAC name of 5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine (CID 174214668) is 5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine.
What is the SMILES notation for 5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine?
The canonical SMILES for 5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine is FC(F)(F)c1ccc(COC2CNCC2n2cc(-c3cncnc3)nn2)cc1.
What is the InChIKey of 5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine?
The InChIKey is SPKRNOSMSYBQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O/c19-18(20,21)14-3-1-12(2-4-14)10-28-17-8-22-7-16(17)27-9-15(25-26-27)13-5-23-11-24-6-13/h1-6,9,11,16-17,22H,7-8,10H2.
What are the key properties of 5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine?
5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine has a molecular weight of 390.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]triazol-4-yl]pyrimidine is sourced from PubChem (CID 174214668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).