4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine

C22H31N3O2 — CID 155532267

IUPAC4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
SMILESCC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCCOC2)cc1
InChIInChI=1S/C22H31N3O2/c1-17(2)18-5-7-19(8-6-18)22-14-20(15-24-9-12-26-13-10-24)23-25(22)21-4-3-11-27-16-21/h5-8,14,17,21H,3-4,9-13,15-16H2,1-2H3
InChIKeyFFYPIRITVJPOMR-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.86
Rot. Bonds5

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

4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine (PubChem CID 155532267) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
PubChem CID155532267
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
SMILESCC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCCOC2)cc1
InChIInChI=1S/C22H31N3O2/c1-17(2)18-5-7-19(8-6-18)22-14-20(15-24-9-12-26-13-10-24)23-25(22)21-4-3-11-27-16-21/h5-8,14,17,21H,3-4,9-13,15-16H2,1-2H3
InChIKeyFFYPIRITVJPOMR-UHFFFAOYSA-N
XLogP3.86
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine (CID 155532267) is 4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine is CC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCCOC2)cc1.
What is the InChIKey of 4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The InChIKey is FFYPIRITVJPOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17(2)18-5-7-19(8-6-18)22-14-20(15-24-9-12-26-13-10-24)23-25(22)21-4-3-11-27-16-21/h5-8,14,17,21H,3-4,9-13,15-16H2,1-2H3.
What are the key properties of 4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine has a molecular weight of 369.51 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(oxan-3-yl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 155532267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).