[5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone

C20H16F4N4O3 — CID 86574669

IUPAC[5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(-c2cccnc2)n1)N1CCOCC1
InChIInChI=1S/C20H16F4N4O3/c21-14-8-13(9-16(10-14)31-20(22,23)24)18-11-17(19(29)27-4-6-30-7-5-27)26-28(18)15-2-1-3-25-12-15/h1-3,8-12H,4-7H2
InChIKeyGFBWNAVSRYXHET-UHFFFAOYSA-N
MW436.37 g/mol
LogP3.44
Rot. Bonds4

About [5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone

[5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 86574669) has the molecular formula C20H16F4N4O3 and a molecular weight of 436.37 g/mol. Its IUPAC name is [5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID86574669
Molecular FormulaC20H16F4N4O3
Molecular Weight436.37 g/mol
Exact Mass436.12
IUPAC Name[5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(-c2cccnc2)n1)N1CCOCC1
InChIInChI=1S/C20H16F4N4O3/c21-14-8-13(9-16(10-14)31-20(22,23)24)18-11-17(19(29)27-4-6-30-7-5-27)26-28(18)15-2-1-3-25-12-15/h1-3,8-12H,4-7H2
InChIKeyGFBWNAVSRYXHET-UHFFFAOYSA-N
XLogP3.44
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone (CID 86574669) is [5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(-c2cccnc2)n1)N1CCOCC1.
What is the InChIKey of [5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is GFBWNAVSRYXHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O3/c21-14-8-13(9-16(10-14)31-20(22,23)24)18-11-17(19(29)27-4-6-30-7-5-27)26-28(18)15-2-1-3-25-12-15/h1-3,8-12H,4-7H2.
What are the key properties of [5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone?
[5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 436.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 86574669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).