3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one

C19H11F4N5O — CID 59453403

IUPAC3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one
SMILESO=c1ccn(-c2ccnc(C(F)(F)F)c2)nc1-c1ccnn1-c1ccccc1F
InChIInChI=1S/C19H11F4N5O/c20-13-3-1-2-4-14(13)28-15(6-9-25-28)18-16(29)7-10-27(26-18)12-5-8-24-17(11-12)19(21,22)23/h1-11H
InChIKeyVNQWDFDLGFARED-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.64
Rot. Bonds3

About 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one

3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one (PubChem CID 59453403) has the molecular formula C19H11F4N5O and a molecular weight of 401.32 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one
PubChem CID59453403
Molecular FormulaC19H11F4N5O
Molecular Weight401.32 g/mol
Exact Mass401.09
IUPAC Name3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one
SMILESO=c1ccn(-c2ccnc(C(F)(F)F)c2)nc1-c1ccnn1-c1ccccc1F
InChIInChI=1S/C19H11F4N5O/c20-13-3-1-2-4-14(13)28-15(6-9-25-28)18-16(29)7-10-27(26-18)12-5-8-24-17(11-12)19(21,22)23/h1-11H
InChIKeyVNQWDFDLGFARED-UHFFFAOYSA-N
XLogP3.64
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one
CID 59453401
3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-quinolin-6-ylpyridazin-4-one
CID 59453404
N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide
CID 71111854
3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 59436228
3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 46219819
1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one
CID 46872143
1-(2-methyl-4-pyridinyl)-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one
CID 46872606
3-(2-isoquinolin-5-ylpyrazol-3-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-4-one
CID 46872608
3-(2-pyridin-2-ylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 46218711
1-(2-chloro-4-pyridinyl)-3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]pyridazin-4-one
CID 46872486
3-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-1-[3-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]phenyl]pyridazin-4-one
CID 59370036
3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 1479697

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one?
The IUPAC name of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one (CID 59453403) is 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one?
The canonical SMILES for 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one is O=c1ccn(-c2ccnc(C(F)(F)F)c2)nc1-c1ccnn1-c1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one?
The InChIKey is VNQWDFDLGFARED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N5O/c20-13-3-1-2-4-14(13)28-15(6-9-25-28)18-16(29)7-10-27(26-18)12-5-8-24-17(11-12)19(21,22)23/h1-11H.
What are the key properties of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one?
3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one has a molecular weight of 401.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one is sourced from PubChem (CID 59453403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).