4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine

C19H27N3O2 — CID 136555263

IUPAC4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine
SMILESCCOCC1CN(Cc2c(C)nn(-c3ccccc3)c2C)CCO1
InChIInChI=1S/C19H27N3O2/c1-4-23-14-18-12-21(10-11-24-18)13-19-15(2)20-22(16(19)3)17-8-6-5-7-9-17/h5-9,18H,4,10-14H2,1-3H3
InChIKeyXOKVWNGRLSCTKX-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.73
Rot. Bonds6

About 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine

4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine (PubChem CID 136555263) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine
PubChem CID136555263
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine
SMILESCCOCC1CN(Cc2c(C)nn(-c3ccccc3)c2C)CCO1
InChIInChI=1S/C19H27N3O2/c1-4-23-14-18-12-21(10-11-24-18)13-19-15(2)20-22(16(19)3)17-8-6-5-7-9-17/h5-9,18H,4,10-14H2,1-3H3
InChIKeyXOKVWNGRLSCTKX-UHFFFAOYSA-N
XLogP2.73
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine?
The IUPAC name of 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine (CID 136555263) is 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine.
What is the SMILES notation for 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine?
The canonical SMILES for 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine is CCOCC1CN(Cc2c(C)nn(-c3ccccc3)c2C)CCO1.
What is the InChIKey of 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine?
The InChIKey is XOKVWNGRLSCTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-23-14-18-12-21(10-11-24-18)13-19-15(2)20-22(16(19)3)17-8-6-5-7-9-17/h5-9,18H,4,10-14H2,1-3H3.
What are the key properties of 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine?
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine has a molecular weight of 329.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine is sourced from PubChem (CID 136555263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).