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

C22H23F2N3O2 — CID 127250719

IUPAC2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
SMILESFc1ccc(CN2CCOC(c3cc(CCOc4ccccc4F)[nH]n3)C2)cc1
InChIInChI=1S/C22H23F2N3O2/c23-17-7-5-16(6-8-17)14-27-10-12-29-22(15-27)20-13-18(25-26-20)9-11-28-21-4-2-1-3-19(21)24/h1-8,13,22H,9-12,14-15H2,(H,25,26)
InChIKeyKQAXGXQIWGSNRH-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.88
Rot. Bonds7

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

2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine (PubChem CID 127250719) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
PubChem CID127250719
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
SMILESFc1ccc(CN2CCOC(c3cc(CCOc4ccccc4F)[nH]n3)C2)cc1
InChIInChI=1S/C22H23F2N3O2/c23-17-7-5-16(6-8-17)14-27-10-12-29-22(15-27)20-13-18(25-26-20)9-11-28-21-4-2-1-3-19(21)24/h1-8,13,22H,9-12,14-15H2,(H,25,26)
InChIKeyKQAXGXQIWGSNRH-UHFFFAOYSA-N
XLogP3.88
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine?
The IUPAC name of 2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine (CID 127250719) is 2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine?
The canonical SMILES for 2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine is Fc1ccc(CN2CCOC(c3cc(CCOc4ccccc4F)[nH]n3)C2)cc1.
What is the InChIKey of 2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine?
The InChIKey is KQAXGXQIWGSNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-17-7-5-16(6-8-17)14-27-10-12-29-22(15-27)20-13-18(25-26-20)9-11-28-21-4-2-1-3-19(21)24/h1-8,13,22H,9-12,14-15H2,(H,25,26).
What are the key properties of 2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine?
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine has a molecular weight of 399.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 127250719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).