4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine

C23H26FN3O — CID 155516252

IUPAC4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
SMILESCC(C)c1ccc(-c2cc(CN3CCOCC3)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H26FN3O/c1-17(2)18-3-5-19(6-4-18)23-15-21(16-26-11-13-28-14-12-26)25-27(23)22-9-7-20(24)8-10-22/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyZSNIZUIIAPLAOC-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.63
Rot. Bonds5

About 4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine

4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine (PubChem CID 155516252) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
PubChem CID155516252
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
SMILESCC(C)c1ccc(-c2cc(CN3CCOCC3)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H26FN3O/c1-17(2)18-3-5-19(6-4-18)23-15-21(16-26-11-13-28-14-12-26)25-27(23)22-9-7-20(24)8-10-22/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyZSNIZUIIAPLAOC-UHFFFAOYSA-N
XLogP4.63
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-Methylphenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylethanethione
CID 2121563
4,5,6,7-tetrahydro-4-(2-(morpholin-4-yl)ethyl)-1-phenyl-1H-indazole
CID 11531451
US12391696, Example 1
CID 155591380
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
4-[[1-(4-Fluorophenyl)-5-(4-isopropylphenyl)-2-methyl-pyrrol-3-yl]methyl]morpholine
CID 73953235
4-[[1-[(4-Fluorophenyl)methyl]-2-methyl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
CID 145983205
4-[[1-(4-Fluorophenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]morpholine
CID 145988531
1-[[1-Cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
CID 155526986
1-[[1-Propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol
CID 155534366
1-[[1-(4-Fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine
CID 155536978
4-[[1-Cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
CID 155538169
1-[[1-(4-Fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
CID 155542932

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine (CID 155516252) is 4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine is CC(C)c1ccc(-c2cc(CN3CCOCC3)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The InChIKey is ZSNIZUIIAPLAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-17(2)18-3-5-19(6-4-18)23-15-21(16-26-11-13-28-14-12-26)25-27(23)22-9-7-20(24)8-10-22/h3-10,15,17H,11-14,16H2,1-2H3.
What are the key properties of 4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine has a molecular weight of 379.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 155516252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).