5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one

C16H13FN6O — CID 169422904

IUPAC5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(cc1=O)N=NC2c1cnn(C)c1
InChIInChI=1S/C16H13FN6O/c1-9-4-3-5-11(17)16(9)23-13(24)6-12-15(21-23)14(20-19-12)10-7-18-22(2)8-10/h3-8,14H,1-2H3
InChIKeyQKUHJWBVJZULAS-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.60
Rot. Bonds2

About 5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one

5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 169422904) has the molecular formula C16H13FN6O and a molecular weight of 324.32 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID169422904
Molecular FormulaC16H13FN6O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC Name5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(cc1=O)N=NC2c1cnn(C)c1
InChIInChI=1S/C16H13FN6O/c1-9-4-3-5-11(17)16(9)23-13(24)6-12-15(21-23)14(20-19-12)10-7-18-22(2)8-10/h3-8,14H,1-2H3
InChIKeyQKUHJWBVJZULAS-UHFFFAOYSA-N
XLogP2.60
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one (CID 169422904) is 5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one is Cc1cccc(F)c1-n1nc2c(cc1=O)N=NC2c1cnn(C)c1.
What is the InChIKey of 5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is QKUHJWBVJZULAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O/c1-9-4-3-5-11(17)16(9)23-13(24)6-12-15(21-23)14(20-19-12)10-7-18-22(2)8-10/h3-8,14H,1-2H3.
What are the key properties of 5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one?
5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 324.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-3H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 169422904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).