1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one

C17H20N8O — CID 133325552

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESCc1ccn(-c2ccc(NC3CCN(c4cc(C)nn4C)C3=O)nn2)n1
InChIInChI=1S/C17H20N8O/c1-11-6-9-25(22-11)15-5-4-14(19-20-15)18-13-7-8-24(17(13)26)16-10-12(2)21-23(16)3/h4-6,9-10,13H,7-8H2,1-3H3,(H,18,19)
InChIKeyUSYRAAVKNSVTIK-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.23
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one (PubChem CID 133325552) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
PubChem CID133325552
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESCc1ccn(-c2ccc(NC3CCN(c4cc(C)nn4C)C3=O)nn2)n1
InChIInChI=1S/C17H20N8O/c1-11-6-9-25(22-11)15-5-4-14(19-20-15)18-13-7-8-24(17(13)26)16-10-12(2)21-23(16)3/h4-6,9-10,13H,7-8H2,1-3H3,(H,18,19)
InChIKeyUSYRAAVKNSVTIK-UHFFFAOYSA-N
XLogP1.23
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one (CID 133325552) is 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one is Cc1ccn(-c2ccc(NC3CCN(c4cc(C)nn4C)C3=O)nn2)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The InChIKey is USYRAAVKNSVTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-11-6-9-25(22-11)15-5-4-14(19-20-15)18-13-7-8-24(17(13)26)16-10-12(2)21-23(16)3/h4-6,9-10,13H,7-8H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one has a molecular weight of 352.40 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133325552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).