3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one

C22H22FN3O2 — CID 67997408

IUPAC3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1cc(-c2cccc(F)c2)n(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C22H22FN3O2/c23-18-6-4-5-17(15-18)21-16-19(24-26(21)20-7-2-1-3-8-20)9-10-22(27)25-11-13-28-14-12-25/h1-8,15-16H,9-14H2
InChIKeyUPHHMYGSAGHEDU-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.47
Rot. Bonds5

About 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one

3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 67997408) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID67997408
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1cc(-c2cccc(F)c2)n(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C22H22FN3O2/c23-18-6-4-5-17(15-18)21-16-19(24-26(21)20-7-2-1-3-8-20)9-10-22(27)25-11-13-28-14-12-25/h1-8,15-16H,9-14H2
InChIKeyUPHHMYGSAGHEDU-UHFFFAOYSA-N
XLogP3.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one (CID 67997408) is 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccccc2)n1)N1CCOCC1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is UPHHMYGSAGHEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-18-6-4-5-17(15-18)21-16-19(24-26(21)20-7-2-1-3-8-20)9-10-22(27)25-11-13-28-14-12-25/h1-8,15-16H,9-14H2.
What are the key properties of 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one?
3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 379.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 67997408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).