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

C18H23N7O — CID 126930053

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(CCn4cccn4)C3)n2)n1
InChIInChI=1S/C18H23N7O/c1-14-10-15(2)25(20-14)17-4-5-18(26)24(21-17)13-16-11-22(12-16)8-9-23-7-3-6-19-23/h3-7,10,16H,8-9,11-13H2,1-2H3
InChIKeyMLKVDYTZEBDNDG-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.87
Rot. Bonds6

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

6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126930053) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126930053
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(CCn4cccn4)C3)n2)n1
InChIInChI=1S/C18H23N7O/c1-14-10-15(2)25(20-14)17-4-5-18(26)24(21-17)13-16-11-22(12-16)8-9-23-7-3-6-19-23/h3-7,10,16H,8-9,11-13H2,1-2H3
InChIKeyMLKVDYTZEBDNDG-UHFFFAOYSA-N
XLogP0.87
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930177
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-methylpiperidin-2-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930182
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1,3-oxazol-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930111
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930065
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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930054
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930213
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930282
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930097

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126930053) is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC3CN(CCn4cccn4)C3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is MLKVDYTZEBDNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-14-10-15(2)25(20-14)17-4-5-18(26)24(21-17)13-16-11-22(12-16)8-9-23-7-3-6-19-23/h3-7,10,16H,8-9,11-13H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 353.43 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126930053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).