1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

C21H16F2N4O2 — CID 58072251

IUPAC1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCc1cn(-c2ccccc2OC(F)F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C21H16F2N4O2/c1-14-13-26(16-9-5-6-10-18(16)29-21(22)23)25-19(20(14)28)17-11-12-24-27(17)15-7-3-2-4-8-15/h2-13,21H,1H3
InChIKeyNWLBDAHGDFBRJB-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.00
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58072251) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58072251
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCc1cn(-c2ccccc2OC(F)F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C21H16F2N4O2/c1-14-13-26(16-9-5-6-10-18(16)29-21(22)23)25-19(20(14)28)17-11-12-24-27(17)15-7-3-2-4-8-15/h2-13,21H,1H3
InChIKeyNWLBDAHGDFBRJB-UHFFFAOYSA-N
XLogP4.00
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58072251) is 1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is Cc1cn(-c2ccccc2OC(F)F)nc(-c2ccnn2-c2ccccc2)c1=O.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is NWLBDAHGDFBRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c1-14-13-26(16-9-5-6-10-18(16)29-21(22)23)25-19(20(14)28)17-11-12-24-27(17)15-7-3-2-4-8-15/h2-13,21H,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 394.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58072251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).