3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one

C23H18FN6O2P — CID 144537128

IUPAC3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one
SMILESCOc1cn(-c2ccc(-n3cccn3)cc2P)nc(-c2ccnn2-c2ccccc2F)c1=O
InChIInChI=1S/C23H18FN6O2P/c1-32-20-14-29(18-8-7-15(13-21(18)33)28-12-4-10-25-28)27-22(23(20)31)19-9-11-26-30(19)17-6-3-2-5-16(17)24/h2-14H,33H2,1H3
InChIKeyDTABMKPMIDFJKD-UHFFFAOYSA-N
MW460.41 g/mol
LogP2.92
Rot. Bonds5

About 3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one

3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one (PubChem CID 144537128) has the molecular formula C23H18FN6O2P and a molecular weight of 460.41 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one
PubChem CID144537128
Molecular FormulaC23H18FN6O2P
Molecular Weight460.41 g/mol
Exact Mass460.12
IUPAC Name3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one
SMILESCOc1cn(-c2ccc(-n3cccn3)cc2P)nc(-c2ccnn2-c2ccccc2F)c1=O
InChIInChI=1S/C23H18FN6O2P/c1-32-20-14-29(18-8-7-15(13-21(18)33)28-12-4-10-25-28)27-22(23(20)31)19-9-11-26-30(19)17-6-3-2-5-16(17)24/h2-14H,33H2,1H3
InChIKeyDTABMKPMIDFJKD-UHFFFAOYSA-N
XLogP2.92
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3,4-difluoropyrrol-1-yl)-2-(fluoromethoxy)phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 71275832
1-[2-(fluoromethoxy)phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 66713688
3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one
CID 129234806
3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one
CID 59453401
1-[2-(difluoromethoxy)-4-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 88556016
1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 129234805
3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one
CID 67993189
1-[3-(3,6-dihydro-2H-pyran-4-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 58072441
3-[3-(dimethylamino)-2-methylprop-2-enoyl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one
CID 131745115
1-(2-fluorophenyl)-5-(2-methoxyphenyl)pyrazole
CID 15956824
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one?
The IUPAC name of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one (CID 144537128) is 3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one?
The canonical SMILES for 3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one is COc1cn(-c2ccc(-n3cccn3)cc2P)nc(-c2ccnn2-c2ccccc2F)c1=O.
What is the InChIKey of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one?
The InChIKey is DTABMKPMIDFJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN6O2P/c1-32-20-14-29(18-8-7-15(13-21(18)33)28-12-4-10-25-28)27-22(23(20)31)19-9-11-26-30(19)17-6-3-2-5-16(17)24/h2-14H,33H2,1H3.
What are the key properties of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one?
3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one has a molecular weight of 460.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one is sourced from PubChem (CID 144537128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).