4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine

C15H22F3N3O2 — CID 123709283

IUPAC4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine
SMILESCn1nc(C(F)(F)F)cc1OCC1CCC1CN1CCOCC1
InChIInChI=1S/C15H22F3N3O2/c1-20-14(8-13(19-20)15(16,17)18)23-10-12-3-2-11(12)9-21-4-6-22-7-5-21/h8,11-12H,2-7,9-10H2,1H3
InChIKeyXJYFPDNNZNBRNN-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.18
Rot. Bonds5

About 4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine

4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine (PubChem CID 123709283) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine
PubChem CID123709283
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine
SMILESCn1nc(C(F)(F)F)cc1OCC1CCC1CN1CCOCC1
InChIInChI=1S/C15H22F3N3O2/c1-20-14(8-13(19-20)15(16,17)18)23-10-12-3-2-11(12)9-21-4-6-22-7-5-21/h8,11-12H,2-7,9-10H2,1H3
InChIKeyXJYFPDNNZNBRNN-UHFFFAOYSA-N
XLogP2.18
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine
CID 170144103
1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477537
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole
CID 136570448
4-[(2-methylcyclobutyl)methyl]morpholine
CID 67036054
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 118786264
3-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943687
1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]sulfonyl-4-(oxan-4-ylmethyl)piperazine
CID 170144144
1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine
CID 170144116
4-[(6S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 174173548
4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 174173595
[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 74249087
2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 18974774

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine?
The IUPAC name of 4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine (CID 123709283) is 4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine?
The canonical SMILES for 4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine is Cn1nc(C(F)(F)F)cc1OCC1CCC1CN1CCOCC1.
What is the InChIKey of 4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine?
The InChIKey is XJYFPDNNZNBRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-20-14(8-13(19-20)15(16,17)18)23-10-12-3-2-11(12)9-21-4-6-22-7-5-21/h8,11-12H,2-7,9-10H2,1H3.
What are the key properties of 4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine?
4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine has a molecular weight of 333.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine is sourced from PubChem (CID 123709283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).