2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine

C24H28FN3O2 — CID 70728001

IUPAC2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine
SMILESCCC1CN(Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CCO1
InChIInChI=1S/C24H28FN3O2/c1-4-20-16-27(11-12-30-20)14-19-15-28(22-8-6-5-7-17(22)2)26-24(19)18-9-10-23(29-3)21(25)13-18/h5-10,13,15,20H,4,11-12,14,16H2,1-3H3
InChIKeyRFFIYARYUUYBJD-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.61
Rot. Bonds6

About 2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine

2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine (PubChem CID 70728001) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine
PubChem CID70728001
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine
SMILESCCC1CN(Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CCO1
InChIInChI=1S/C24H28FN3O2/c1-4-20-16-27(11-12-30-20)14-19-15-28(22-8-6-5-7-17(22)2)26-24(19)18-9-10-23(29-3)21(25)13-18/h5-10,13,15,20H,4,11-12,14,16H2,1-3H3
InChIKeyRFFIYARYUUYBJD-UHFFFAOYSA-N
XLogP4.61
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine?
The IUPAC name of 2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine (CID 70728001) is 2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine is CCC1CN(Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CCO1.
What is the InChIKey of 2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine?
The InChIKey is RFFIYARYUUYBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-4-20-16-27(11-12-30-20)14-19-15-28(22-8-6-5-7-17(22)2)26-24(19)18-9-10-23(29-3)21(25)13-18/h5-10,13,15,20H,4,11-12,14,16H2,1-3H3.
What are the key properties of 2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine?
2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine has a molecular weight of 409.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 70728001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).