6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide

C17H22N6O2 — CID 71791826

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCCN3CCCC3=O)nn2)n1
InChIInChI=1S/C17H22N6O2/c1-12-11-13(2)23(21-12)15-7-6-14(19-20-15)17(25)18-8-4-10-22-9-3-5-16(22)24/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,25)
InChIKeyPZEMDNAMVKGCGV-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.02
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide (PubChem CID 71791826) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
PubChem CID71791826
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCCN3CCCC3=O)nn2)n1
InChIInChI=1S/C17H22N6O2/c1-12-11-13(2)23(21-12)15-7-6-14(19-20-15)17(25)18-8-4-10-22-9-3-5-16(22)24/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,25)
InChIKeyPZEMDNAMVKGCGV-UHFFFAOYSA-N
XLogP1.02
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide (CID 71791826) is 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)NCCCN3CCCC3=O)nn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide?
The InChIKey is PZEMDNAMVKGCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-11-13(2)23(21-12)15-7-6-14(19-20-15)17(25)18-8-4-10-22-9-3-5-16(22)24/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,25).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 71791826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).