1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

C24H16F4N6O2 — CID 58577263

IUPAC1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(-n3nccc3OCC(F)(F)F)cc2F)nc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C24H16F4N6O2/c25-18-14-17(34-22(9-12-30-34)36-15-24(26,27)28)6-7-19(18)32-13-10-21(35)23(31-32)20-8-11-29-33(20)16-4-2-1-3-5-16/h1-14H,15H2
InChIKeyGVQXNCHDLDITSF-UHFFFAOYSA-N
MW496.42 g/mol
LogP4.35
Rot. Bonds6

About 1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58577263) has the molecular formula C24H16F4N6O2 and a molecular weight of 496.42 g/mol. Its IUPAC name is 1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58577263
Molecular FormulaC24H16F4N6O2
Molecular Weight496.42 g/mol
Exact Mass496.13
IUPAC Name1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(-n3nccc3OCC(F)(F)F)cc2F)nc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C24H16F4N6O2/c25-18-14-17(34-22(9-12-30-34)36-15-24(26,27)28)6-7-19(18)32-13-10-21(35)23(31-32)20-8-11-29-33(20)16-4-2-1-3-5-16/h1-14H,15H2
InChIKeyGVQXNCHDLDITSF-UHFFFAOYSA-N
XLogP4.35
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58577263) is 1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is O=c1ccn(-c2ccc(-n3nccc3OCC(F)(F)F)cc2F)nc1-c1ccnn1-c1ccccc1.
What is the InChIKey of 1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is GVQXNCHDLDITSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N6O2/c25-18-14-17(34-22(9-12-30-34)36-15-24(26,27)28)6-7-19(18)32-13-10-21(35)23(31-32)20-8-11-29-33(20)16-4-2-1-3-5-16/h1-14H,15H2.
What are the key properties of 1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 496.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[5-(2,2,2-trifluoroethoxy)pyrazol-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58577263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).