1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone

C19H25N3O2 — CID 75426207

IUPAC1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
SMILESCc1ccccc1CC1CN(C(=O)COc2c(C)nn(C)c2C)C1
InChIInChI=1S/C19H25N3O2/c1-13-7-5-6-8-17(13)9-16-10-22(11-16)18(23)12-24-19-14(2)20-21(4)15(19)3/h5-8,16H,9-12H2,1-4H3
InChIKeyXUOJEMVMDOGIDM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.43
Rot. Bonds5

About 1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone

1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone (PubChem CID 75426207) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone.

Molecular Properties

Compound Name1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
PubChem CID75426207
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
SMILESCc1ccccc1CC1CN(C(=O)COc2c(C)nn(C)c2C)C1
InChIInChI=1S/C19H25N3O2/c1-13-7-5-6-8-17(13)9-16-10-22(11-16)18(23)12-24-19-14(2)20-21(4)15(19)3/h5-8,16H,9-12H2,1-4H3
InChIKeyXUOJEMVMDOGIDM-UHFFFAOYSA-N
XLogP2.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone?
The IUPAC name of 1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone (CID 75426207) is 1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone.
What is the SMILES notation for 1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone?
The canonical SMILES for 1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone is Cc1ccccc1CC1CN(C(=O)COc2c(C)nn(C)c2C)C1.
What is the InChIKey of 1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone?
The InChIKey is XUOJEMVMDOGIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-7-5-6-8-17(13)9-16-10-22(11-16)18(23)12-24-19-14(2)20-21(4)15(19)3/h5-8,16H,9-12H2,1-4H3.
What are the key properties of 1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone?
1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone has a molecular weight of 327.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylphenyl)methyl]azetidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone is sourced from PubChem (CID 75426207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).