1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one

C19H14F3N5O3 — CID 86574260

IUPAC1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc(-c3cc(F)cc(OC(F)F)c3)n(-c3cccnc3)n2)CN1
InChIInChI=1S/C19H14F3N5O3/c20-12-4-11(5-14(6-12)30-19(21)22)16-7-15(18(29)26-9-17(28)24-10-26)25-27(16)13-2-1-3-23-8-13/h1-8,19H,9-10H2,(H,24,28)
InChIKeyRUWXUBJIHAZBSL-UHFFFAOYSA-N
MW417.35 g/mol
LogP2.20
Rot. Bonds5

About 1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one

1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one (PubChem CID 86574260) has the molecular formula C19H14F3N5O3 and a molecular weight of 417.35 g/mol. Its IUPAC name is 1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one
PubChem CID86574260
Molecular FormulaC19H14F3N5O3
Molecular Weight417.35 g/mol
Exact Mass417.10
IUPAC Name1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc(-c3cc(F)cc(OC(F)F)c3)n(-c3cccnc3)n2)CN1
InChIInChI=1S/C19H14F3N5O3/c20-12-4-11(5-14(6-12)30-19(21)22)16-7-15(18(29)26-9-17(28)24-10-26)25-27(16)13-2-1-3-23-8-13/h1-8,19H,9-10H2,(H,24,28)
InChIKeyRUWXUBJIHAZBSL-UHFFFAOYSA-N
XLogP2.20
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one?
The IUPAC name of 1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one (CID 86574260) is 1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one.
What is the SMILES notation for 1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one?
The canonical SMILES for 1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one is O=C1CN(C(=O)c2cc(-c3cc(F)cc(OC(F)F)c3)n(-c3cccnc3)n2)CN1.
What is the InChIKey of 1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one?
The InChIKey is RUWXUBJIHAZBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O3/c20-12-4-11(5-14(6-12)30-19(21)22)16-7-15(18(29)26-9-17(28)24-10-26)25-27(16)13-2-1-3-23-8-13/h1-8,19H,9-10H2,(H,24,28).
What are the key properties of 1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one?
1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one has a molecular weight of 417.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]imidazolidin-4-one is sourced from PubChem (CID 86574260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).