4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine

C18H22F3N3O — CID 155511278

IUPAC4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine
SMILESCC(C)n1nc(CN2CCOCC2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H22F3N3O/c1-13(2)24-17(14-3-5-15(6-4-14)18(19,20)21)11-16(22-24)12-23-7-9-25-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyJBVKYFPZEDHCGX-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.98
Rot. Bonds4

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

4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine (PubChem CID 155511278) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine
PubChem CID155511278
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine
SMILESCC(C)n1nc(CN2CCOCC2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H22F3N3O/c1-13(2)24-17(14-3-5-15(6-4-14)18(19,20)21)11-16(22-24)12-23-7-9-25-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyJBVKYFPZEDHCGX-UHFFFAOYSA-N
XLogP3.98
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Hydroxyethyl)-3,5-diphenyl-1H-pyrazole
CID 128748
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(2-methyl-5-phenylpyrazol-3-yl)methyl]piperazine-1-carboxylate
CID 89682653
US12391696, Example 1
CID 155591380
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
1-[[1-Cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
CID 155526986
1-[[1-Propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol
CID 155534366
1-[[1-(4-Fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine
CID 155536978
4-[[1-Cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
CID 155538169
1-[[1-Cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
CID 155540068
1-[[1-(4-Fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
CID 155542932
4-[[1-Cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
CID 155545737
ethyl 2-[3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetate
CID 164628567

Frequently Asked Questions

What is the IUPAC name of 4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine (CID 155511278) is 4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine is CC(C)n1nc(CN2CCOCC2)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine?
The InChIKey is JBVKYFPZEDHCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-13(2)24-17(14-3-5-15(6-4-14)18(19,20)21)11-16(22-24)12-23-7-9-25-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine?
4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine has a molecular weight of 353.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 155511278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).