1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one

C26H22F3N5O — CID 66547836

IUPAC1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCn1cc(-c2cccc(N3CCN(c4ccc(C(F)(F)F)cc4)C3=O)c2)c(-c2ccncc2)n1
InChIInChI=1S/C26H22F3N5O/c1-2-32-17-23(24(31-32)18-10-12-30-13-11-18)19-4-3-5-22(16-19)34-15-14-33(25(34)35)21-8-6-20(7-9-21)26(27,28)29/h3-13,16-17H,2,14-15H2,1H3
InChIKeyRWDZFKVQBFZBIM-UHFFFAOYSA-N
MW477.49 g/mol
LogP6.10
Rot. Bonds5

About 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 66547836) has the molecular formula C26H22F3N5O and a molecular weight of 477.49 g/mol. Its IUPAC name is 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID66547836
Molecular FormulaC26H22F3N5O
Molecular Weight477.49 g/mol
Exact Mass477.18
IUPAC Name1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCn1cc(-c2cccc(N3CCN(c4ccc(C(F)(F)F)cc4)C3=O)c2)c(-c2ccncc2)n1
InChIInChI=1S/C26H22F3N5O/c1-2-32-17-23(24(31-32)18-10-12-30-13-11-18)19-4-3-5-22(16-19)34-15-14-33(25(34)35)21-8-6-20(7-9-21)26(27,28)29/h3-13,16-17H,2,14-15H2,1H3
InChIKeyRWDZFKVQBFZBIM-UHFFFAOYSA-N
XLogP6.10
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 66547836) is 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one is CCn1cc(-c2cccc(N3CCN(c4ccc(C(F)(F)F)cc4)C3=O)c2)c(-c2ccncc2)n1.
What is the InChIKey of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is RWDZFKVQBFZBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O/c1-2-32-17-23(24(31-32)18-10-12-30-13-11-18)19-4-3-5-22(16-19)34-15-14-33(25(34)35)21-8-6-20(7-9-21)26(27,28)29/h3-13,16-17H,2,14-15H2,1H3.
What are the key properties of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 477.49 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 66547836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).