2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine

C17H23N3O — CID 71850538

IUPAC2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1ccc(CN2CCOC(C)(c3cnn(C)c3)C2)cc1
InChIInChI=1S/C17H23N3O/c1-14-4-6-15(7-5-14)11-20-8-9-21-17(2,13-20)16-10-18-19(3)12-16/h4-7,10,12H,8-9,11,13H2,1-3H3
InChIKeyWYODFGAHDFALRP-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.48
Rot. Bonds3

About 2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine

2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 71850538) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID71850538
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1ccc(CN2CCOC(C)(c3cnn(C)c3)C2)cc1
InChIInChI=1S/C17H23N3O/c1-14-4-6-15(7-5-14)11-20-8-9-21-17(2,13-20)16-10-18-19(3)12-16/h4-7,10,12H,8-9,11,13H2,1-3H3
InChIKeyWYODFGAHDFALRP-UHFFFAOYSA-N
XLogP2.48
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine (CID 71850538) is 2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine is Cc1ccc(CN2CCOC(C)(c3cnn(C)c3)C2)cc1.
What is the InChIKey of 2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is WYODFGAHDFALRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-4-6-15(7-5-14)11-20-8-9-21-17(2,13-20)16-10-18-19(3)12-16/h4-7,10,12H,8-9,11,13H2,1-3H3.
What are the key properties of 2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine?
2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 285.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 71850538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).