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

C21H22FN3O — CID 45237842

IUPAC2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine
SMILESFc1cccc(CC2CN(Cc3cn[nH]c3-c3ccccc3)CCO2)c1
InChIInChI=1S/C21H22FN3O/c22-19-8-4-5-16(11-19)12-20-15-25(9-10-26-20)14-18-13-23-24-21(18)17-6-2-1-3-7-17/h1-8,11,13,20H,9-10,12,14-15H2,(H,23,24)
InChIKeyYPVYQCRJRUKLAW-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.66
Rot. Bonds5

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

2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine (PubChem CID 45237842) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine
PubChem CID45237842
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine
SMILESFc1cccc(CC2CN(Cc3cn[nH]c3-c3ccccc3)CCO2)c1
InChIInChI=1S/C21H22FN3O/c22-19-8-4-5-16(11-19)12-20-15-25(9-10-26-20)14-18-13-23-24-21(18)17-6-2-1-3-7-17/h1-8,11,13,20H,9-10,12,14-15H2,(H,23,24)
InChIKeyYPVYQCRJRUKLAW-UHFFFAOYSA-N
XLogP3.66
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine (CID 45237842) is 2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine is Fc1cccc(CC2CN(Cc3cn[nH]c3-c3ccccc3)CCO2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine?
The InChIKey is YPVYQCRJRUKLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-19-8-4-5-16(11-19)12-20-15-25(9-10-26-20)14-18-13-23-24-21(18)17-6-2-1-3-7-17/h1-8,11,13,20H,9-10,12,14-15H2,(H,23,24).
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine?
2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine has a molecular weight of 351.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 45237842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).