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

C20H29N3O — CID 155546533

IUPAC4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
SMILESCC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C(C)C)cc1
InChIInChI=1S/C20H29N3O/c1-15(2)17-5-7-18(8-6-17)20-13-19(21-23(20)16(3)4)14-22-9-11-24-12-10-22/h5-8,13,15-16H,9-12,14H2,1-4H3
InChIKeyWNAINARWJYOQEK-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.09
Rot. Bonds5

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

4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine (PubChem CID 155546533) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
PubChem CID155546533
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
SMILESCC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C(C)C)cc1
InChIInChI=1S/C20H29N3O/c1-15(2)17-5-7-18(8-6-17)20-13-19(21-23(20)16(3)4)14-22-9-11-24-12-10-22/h5-8,13,15-16H,9-12,14H2,1-4H3
InChIKeyWNAINARWJYOQEK-UHFFFAOYSA-N
XLogP4.09
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine (CID 155546533) is 4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine is CC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C(C)C)cc1.
What is the InChIKey of 4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The InChIKey is WNAINARWJYOQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-15(2)17-5-7-18(8-6-17)20-13-19(21-23(20)16(3)4)14-22-9-11-24-12-10-22/h5-8,13,15-16H,9-12,14H2,1-4H3.
What are the key properties of 4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
4-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine has a molecular weight of 327.47 g/mol, XLogP of 4.09, 5 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-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 155546533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).