(3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine

C14H19F3N6O — CID 136588201

IUPAC(3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine
SMILESC[C@@H]1COCCN1Cc1cn(Cc2cc(C(F)(F)F)n(C)n2)nn1
InChIInChI=1S/C14H19F3N6O/c1-10-9-24-4-3-22(10)6-12-8-23(20-18-12)7-11-5-13(14(15,16)17)21(2)19-11/h5,8,10H,3-4,6-7,9H2,1-2H3/t10-/m1/s1
InChIKeyHLASXQKFZQTOKX-SNVBAGLBSA-N
MW344.34 g/mol
LogP1.30
Rot. Bonds4

About (3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine

(3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine (PubChem CID 136588201) has the molecular formula C14H19F3N6O and a molecular weight of 344.34 g/mol. Its IUPAC name is (3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine
PubChem CID136588201
Molecular FormulaC14H19F3N6O
Molecular Weight344.34 g/mol
Exact Mass344.16
IUPAC Name(3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine
SMILESC[C@@H]1COCCN1Cc1cn(Cc2cc(C(F)(F)F)n(C)n2)nn1
InChIInChI=1S/C14H19F3N6O/c1-10-9-24-4-3-22(10)6-12-8-23(20-18-12)7-11-5-13(14(15,16)17)21(2)19-11/h5,8,10H,3-4,6-7,9H2,1-2H3/t10-/m1/s1
InChIKeyHLASXQKFZQTOKX-SNVBAGLBSA-N
XLogP1.30
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine with MolForge

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Related Compounds

(3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine
CID 136585137
4-[[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]morpholine
CID 140157229
2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 149738778
3,5-Dimethyl-1-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]pyrazole
CID 56780566
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 72043977
3,5-dimethyl-1-[[(2S)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]pyrazole
CID 95609730
3,5-dimethyl-1-[[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]pyrazole
CID 95609731
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 95978820
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 95978821
2-[4-({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl}amino)-1H-pyrazol-1-yl]ethan-1-ol
CID 122167820
1-[(1-Methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 127807229
1-[(1-Methyltriazol-4-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 132377546

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine (CID 136588201) is (3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine is C[C@@H]1COCCN1Cc1cn(Cc2cc(C(F)(F)F)n(C)n2)nn1.
What is the InChIKey of (3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine?
The InChIKey is HLASXQKFZQTOKX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19F3N6O/c1-10-9-24-4-3-22(10)6-12-8-23(20-18-12)7-11-5-13(14(15,16)17)21(2)19-11/h5,8,10H,3-4,6-7,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine?
(3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine has a molecular weight of 344.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 136588201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).