4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine

C25H23FN4O — CID 11464125

IUPAC4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine
SMILESFc1ccccc1-c1c(CN2CCOCC2)cnn1-c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C25H23FN4O/c26-23-9-5-4-8-22(23)25-20(18-29-12-14-31-15-13-29)16-28-30(25)21-10-11-24(27-17-21)19-6-2-1-3-7-19/h1-11,16-17H,12-15,18H2
InChIKeyZYGWCBRSQZBIEN-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.57
Rot. Bonds5

About 4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine

4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine (PubChem CID 11464125) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine
PubChem CID11464125
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine
SMILESFc1ccccc1-c1c(CN2CCOCC2)cnn1-c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C25H23FN4O/c26-23-9-5-4-8-22(23)25-20(18-29-12-14-31-15-13-29)16-28-30(25)21-10-11-24(27-17-21)19-6-2-1-3-7-19/h1-11,16-17H,12-15,18H2
InChIKeyZYGWCBRSQZBIEN-UHFFFAOYSA-N
XLogP4.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine (CID 11464125) is 4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine is Fc1ccccc1-c1c(CN2CCOCC2)cnn1-c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine?
The InChIKey is ZYGWCBRSQZBIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-23-9-5-4-8-22(23)25-20(18-29-12-14-31-15-13-29)16-28-30(25)21-10-11-24(27-17-21)19-6-2-1-3-7-19/h1-11,16-17H,12-15,18H2.
What are the key properties of 4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine?
4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine has a molecular weight of 414.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 11464125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).