1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

C23H16ClFN6O2 — CID 46848916

IUPAC1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCOc1cn(-c2ccc(-n3cc(Cl)cn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C23H16ClFN6O2/c1-33-21-14-30(19-8-7-17(11-18(19)25)29-13-15(24)12-27-29)28-22(23(21)32)20-9-10-26-31(20)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyFDQLBCGGUNRNMF-UHFFFAOYSA-N
MW462.87 g/mol
LogP4.07
Rot. Bonds5

About 1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 46848916) has the molecular formula C23H16ClFN6O2 and a molecular weight of 462.87 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID46848916
Molecular FormulaC23H16ClFN6O2
Molecular Weight462.87 g/mol
Exact Mass462.10
IUPAC Name1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCOc1cn(-c2ccc(-n3cc(Cl)cn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C23H16ClFN6O2/c1-33-21-14-30(19-8-7-17(11-18(19)25)29-13-15(24)12-27-29)28-22(23(21)32)20-9-10-26-31(20)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyFDQLBCGGUNRNMF-UHFFFAOYSA-N
XLogP4.07
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.87
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 46848916) is 1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is COc1cn(-c2ccc(-n3cc(Cl)cn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is FDQLBCGGUNRNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6O2/c1-33-21-14-30(19-8-7-17(11-18(19)25)29-13-15(24)12-27-29)28-22(23(21)32)20-9-10-26-31(20)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 462.87 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloropyrazol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 46848916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).