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

C24H28FN3O — CID 155546046

IUPAC4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
SMILESCc1c(CN2CCOCC2)nn(-c2ccc(C(C)C)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O/c1-17(2)19-6-10-22(11-7-19)28-24(20-4-8-21(25)9-5-20)18(3)23(26-28)16-27-12-14-29-15-13-27/h4-11,17H,12-16H2,1-3H3
InChIKeyGOFGBFDWASPWGX-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.94
Rot. Bonds5

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

4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine (PubChem CID 155546046) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
PubChem CID155546046
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
SMILESCc1c(CN2CCOCC2)nn(-c2ccc(C(C)C)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O/c1-17(2)19-6-10-22(11-7-19)28-24(20-4-8-21(25)9-5-20)18(3)23(26-28)16-27-12-14-29-15-13-27/h4-11,17H,12-16H2,1-3H3
InChIKeyGOFGBFDWASPWGX-UHFFFAOYSA-N
XLogP4.94
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine (CID 155546046) is 4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine is Cc1c(CN2CCOCC2)nn(-c2ccc(C(C)C)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The InChIKey is GOFGBFDWASPWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-17(2)19-6-10-22(11-7-19)28-24(20-4-8-21(25)9-5-20)18(3)23(26-28)16-27-12-14-29-15-13-27/h4-11,17H,12-16H2,1-3H3.
What are the key properties of 4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine has a molecular weight of 393.51 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 155546046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).