2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine

C19H19FN4O — CID 75439218

IUPAC2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine
SMILESFc1cccc(C2CN(Cc3cn[nH]c3-c3cccnc3)CCO2)c1
InChIInChI=1S/C19H19FN4O/c20-17-5-1-3-14(9-17)18-13-24(7-8-25-18)12-16-11-22-23-19(16)15-4-2-6-21-10-15/h1-6,9-11,18H,7-8,12-13H2,(H,22,23)
InChIKeyYXUGIQCASLWVBD-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.18
Rot. Bonds4

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

2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine (PubChem CID 75439218) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine
PubChem CID75439218
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine
SMILESFc1cccc(C2CN(Cc3cn[nH]c3-c3cccnc3)CCO2)c1
InChIInChI=1S/C19H19FN4O/c20-17-5-1-3-14(9-17)18-13-24(7-8-25-18)12-16-11-22-23-19(16)15-4-2-6-21-10-15/h1-6,9-11,18H,7-8,12-13H2,(H,22,23)
InChIKeyYXUGIQCASLWVBD-UHFFFAOYSA-N
XLogP3.18
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine?
The IUPAC name of 2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine (CID 75439218) is 2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine is Fc1cccc(C2CN(Cc3cn[nH]c3-c3cccnc3)CCO2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine?
The InChIKey is YXUGIQCASLWVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-17-5-1-3-14(9-17)18-13-24(7-8-25-18)12-16-11-22-23-19(16)15-4-2-6-21-10-15/h1-6,9-11,18H,7-8,12-13H2,(H,22,23).
What are the key properties of 2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine?
2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine has a molecular weight of 338.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 75439218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).