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

C23H26FN3O2 — CID 70774445

IUPAC3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine
SMILESCCC1COCCN1Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F
InChIInChI=1S/C23H26FN3O2/c1-3-18-16-29-12-11-26(18)14-17-15-27(19-7-5-4-6-8-19)25-23(17)21-10-9-20(28-2)13-22(21)24/h4-10,13,15,18H,3,11-12,14,16H2,1-2H3
InChIKeyAKORHXHPANYTOM-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.30
Rot. Bonds6

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

3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine (PubChem CID 70774445) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine
PubChem CID70774445
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine
SMILESCCC1COCCN1Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F
InChIInChI=1S/C23H26FN3O2/c1-3-18-16-29-12-11-26(18)14-17-15-27(19-7-5-4-6-8-19)25-23(17)21-10-9-20(28-2)13-22(21)24/h4-10,13,15,18H,3,11-12,14,16H2,1-2H3
InChIKeyAKORHXHPANYTOM-UHFFFAOYSA-N
XLogP4.30
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine?
The IUPAC name of 3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine (CID 70774445) is 3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine is CCC1COCCN1Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F.
What is the InChIKey of 3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine?
The InChIKey is AKORHXHPANYTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-3-18-16-29-12-11-26(18)14-17-15-27(19-7-5-4-6-8-19)25-23(17)21-10-9-20(28-2)13-22(21)24/h4-10,13,15,18H,3,11-12,14,16H2,1-2H3.
What are the key properties of 3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine?
3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine has a molecular weight of 395.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 70774445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).