4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine

C20H21FN4O — CID 22037582

IUPAC4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2nn(CCN3CCOCC3)cc2-c2ccncc2)cc1
InChIInChI=1S/C20H21FN4O/c21-18-3-1-17(2-4-18)20-19(16-5-7-22-8-6-16)15-25(23-20)10-9-24-11-13-26-14-12-24/h1-8,15H,9-14H2
InChIKeyJJLGMIYRQXAMRF-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.08
Rot. Bonds5

About 4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine

4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine (PubChem CID 22037582) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine
PubChem CID22037582
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2nn(CCN3CCOCC3)cc2-c2ccncc2)cc1
InChIInChI=1S/C20H21FN4O/c21-18-3-1-17(2-4-18)20-19(16-5-7-22-8-6-16)15-25(23-20)10-9-24-11-13-26-14-12-24/h1-8,15H,9-14H2
InChIKeyJJLGMIYRQXAMRF-UHFFFAOYSA-N
XLogP3.08
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine (CID 22037582) is 4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine is Fc1ccc(-c2nn(CCN3CCOCC3)cc2-c2ccncc2)cc1.
What is the InChIKey of 4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine?
The InChIKey is JJLGMIYRQXAMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-18-3-1-17(2-4-18)20-19(16-5-7-22-8-6-16)15-25(23-20)10-9-24-11-13-26-14-12-24/h1-8,15H,9-14H2.
What are the key properties of 4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine?
4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine has a molecular weight of 352.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 22037582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).