3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one

C24H16F3N5O2 — CID 46209520

IUPAC3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one
SMILESO=c1ccn(-c2ccc(OCC(F)(F)F)cc2)nc1-c1ccnn1-c1ccnc2ccccc12
InChIInChI=1S/C24H16F3N5O2/c25-24(26,27)15-34-17-7-5-16(6-8-17)31-14-11-22(33)23(30-31)21-10-13-29-32(21)20-9-12-28-19-4-2-1-3-18(19)20/h1-14H,15H2
InChIKeyZUUYDSGCFVXEPM-UHFFFAOYSA-N
MW463.42 g/mol
LogP4.57
Rot. Bonds5

About 3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one

3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one (PubChem CID 46209520) has the molecular formula C24H16F3N5O2 and a molecular weight of 463.42 g/mol. Its IUPAC name is 3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one
PubChem CID46209520
Molecular FormulaC24H16F3N5O2
Molecular Weight463.42 g/mol
Exact Mass463.13
IUPAC Name3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one
SMILESO=c1ccn(-c2ccc(OCC(F)(F)F)cc2)nc1-c1ccnn1-c1ccnc2ccccc12
InChIInChI=1S/C24H16F3N5O2/c25-24(26,27)15-34-17-7-5-16(6-8-17)31-14-11-22(33)23(30-31)21-10-13-29-32(21)20-9-12-28-19-4-2-1-3-18(19)20/h1-14H,15H2
InChIKeyZUUYDSGCFVXEPM-UHFFFAOYSA-N
XLogP4.57
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one?
The IUPAC name of 3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one (CID 46209520) is 3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one?
The canonical SMILES for 3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one is O=c1ccn(-c2ccc(OCC(F)(F)F)cc2)nc1-c1ccnn1-c1ccnc2ccccc12.
What is the InChIKey of 3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one?
The InChIKey is ZUUYDSGCFVXEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O2/c25-24(26,27)15-34-17-7-5-16(6-8-17)31-14-11-22(33)23(30-31)21-10-13-29-32(21)20-9-12-28-19-4-2-1-3-18(19)20/h1-14H,15H2.
What are the key properties of 3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one?
3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one has a molecular weight of 463.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-quinolin-4-ylpyrazol-3-yl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazin-4-one is sourced from PubChem (CID 46209520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).