[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone

C17H19F3N4O2 — CID 42287586

IUPAC[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
SMILESCOC[C@@H]1CCN(C(=O)c2cn(Cc3ccccc3C(F)(F)F)nn2)C1
InChIInChI=1S/C17H19F3N4O2/c1-26-11-12-6-7-23(8-12)16(25)15-10-24(22-21-15)9-13-4-2-3-5-14(13)17(18,19)20/h2-5,10,12H,6-9,11H2,1H3/t12-/m1/s1
InChIKeyGZNKLVVJYKGDLL-GFCCVEGCSA-N
MW368.36 g/mol
LogP2.45
Rot. Bonds5

About [(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone

[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone (PubChem CID 42287586) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is [(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
PubChem CID42287586
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
SMILESCOC[C@@H]1CCN(C(=O)c2cn(Cc3ccccc3C(F)(F)F)nn2)C1
InChIInChI=1S/C17H19F3N4O2/c1-26-11-12-6-7-23(8-12)16(25)15-10-24(22-21-15)9-13-4-2-3-5-14(13)17(18,19)20/h2-5,10,12H,6-9,11H2,1H3/t12-/m1/s1
InChIKeyGZNKLVVJYKGDLL-GFCCVEGCSA-N
XLogP2.45
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone
CID 26337295
ethyl (3R)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidine-3-carboxylate
CID 26324126
ethyl (3S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidine-3-carboxylate
CID 26324127
[1-(2-cyclohexylethyl)triazol-4-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45176698
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 28634915
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076
ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate
CID 42297998
(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 71931378
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid
CID 66289197
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 25373858
(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055
[4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119648240

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone?
The IUPAC name of [(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone (CID 42287586) is [(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone is COC[C@@H]1CCN(C(=O)c2cn(Cc3ccccc3C(F)(F)F)nn2)C1.
What is the InChIKey of [(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone?
The InChIKey is GZNKLVVJYKGDLL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-26-11-12-6-7-23(8-12)16(25)15-10-24(22-21-15)9-13-4-2-3-5-14(13)17(18,19)20/h2-5,10,12H,6-9,11H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone?
[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone has a molecular weight of 368.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone is sourced from PubChem (CID 42287586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).