6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one

C20H20FN5O2 — CID 134161457

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4ccc(F)cc4)C3)n2)n1
InChIInChI=1S/C20H20FN5O2/c1-13-9-14(2)26(22-13)18-7-8-19(27)25(23-18)12-15-10-24(11-15)20(28)16-3-5-17(21)6-4-16/h3-9,15H,10-12H2,1-2H3
InChIKeyXWSJULGONJBVIT-UHFFFAOYSA-N
MW381.41 g/mol
LogP1.96
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 134161457) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID134161457
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4ccc(F)cc4)C3)n2)n1
InChIInChI=1S/C20H20FN5O2/c1-13-9-14(2)26(22-13)18-7-8-19(27)25(23-18)12-15-10-24(11-15)20(28)16-3-5-17(21)6-4-16/h3-9,15H,10-12H2,1-2H3
InChIKeyXWSJULGONJBVIT-UHFFFAOYSA-N
XLogP1.96
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(3,5-dimethylbenzoyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 134161447
2-[[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930261
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929993
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930258
2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930049
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyridin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930018
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126929967
2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930075
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930056
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930027
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930097
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930054

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 134161457) is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4ccc(F)cc4)C3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is XWSJULGONJBVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-13-9-14(2)26(22-13)18-7-8-19(27)25(23-18)12-15-10-24(11-15)20(28)16-3-5-17(21)6-4-16/h3-9,15H,10-12H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 381.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 134161457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).