2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine

C16H29N3O — CID 157041965

IUPAC2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine
SMILESCC(C)c1cc(C(C)(C)C)n(CC2CN(C)CCO2)n1
InChIInChI=1S/C16H29N3O/c1-12(2)14-9-15(16(3,4)5)19(17-14)11-13-10-18(6)7-8-20-13/h9,12-13H,7-8,10-11H2,1-6H3
InChIKeyOFNJXMNHVCDFQH-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.63
Rot. Bonds3

About 2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine

2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine (PubChem CID 157041965) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine
PubChem CID157041965
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine
SMILESCC(C)c1cc(C(C)(C)C)n(CC2CN(C)CCO2)n1
InChIInChI=1S/C16H29N3O/c1-12(2)14-9-15(16(3,4)5)19(17-14)11-13-10-18(6)7-8-20-13/h9,12-13H,7-8,10-11H2,1-6H3
InChIKeyOFNJXMNHVCDFQH-UHFFFAOYSA-N
XLogP2.63
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine?
The IUPAC name of 2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine (CID 157041965) is 2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine?
The canonical SMILES for 2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine is CC(C)c1cc(C(C)(C)C)n(CC2CN(C)CCO2)n1.
What is the InChIKey of 2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine?
The InChIKey is OFNJXMNHVCDFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)14-9-15(16(3,4)5)19(17-14)11-13-10-18(6)7-8-20-13/h9,12-13H,7-8,10-11H2,1-6H3.
What are the key properties of 2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine?
2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine has a molecular weight of 279.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine is sourced from PubChem (CID 157041965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).