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

C21H26F3N3O — CID 155532529

IUPAC4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine
SMILESFC(F)(F)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCCCC2)cc1
InChIInChI=1S/C21H26F3N3O/c22-21(23,24)17-8-6-16(7-9-17)20-14-18(15-26-10-12-28-13-11-26)25-27(20)19-4-2-1-3-5-19/h6-9,14,19H,1-5,10-13,15H2
InChIKeyLTJCIPOJBMMAOW-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.91
Rot. Bonds4

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

4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine (PubChem CID 155532529) has the molecular formula C21H26F3N3O and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine
PubChem CID155532529
Molecular FormulaC21H26F3N3O
Molecular Weight393.45 g/mol
Exact Mass393.20
IUPAC Name4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine
SMILESFC(F)(F)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCCCC2)cc1
InChIInChI=1S/C21H26F3N3O/c22-21(23,24)17-8-6-16(7-9-17)20-14-18(15-26-10-12-28-13-11-26)25-27(20)19-4-2-1-3-5-19/h6-9,14,19H,1-5,10-13,15H2
InChIKeyLTJCIPOJBMMAOW-UHFFFAOYSA-N
XLogP4.91
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine (CID 155532529) is 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine is FC(F)(F)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCCCC2)cc1.
What is the InChIKey of 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine?
The InChIKey is LTJCIPOJBMMAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O/c22-21(23,24)17-8-6-16(7-9-17)20-14-18(15-26-10-12-28-13-11-26)25-27(20)19-4-2-1-3-5-19/h6-9,14,19H,1-5,10-13,15H2.
What are the key properties of 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine?
4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine has a molecular weight of 393.45 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 155532529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).