2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one

C15H19N5O2 — CID 121021027

IUPAC2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one
SMILESCn1ccc(C2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1
InChIInChI=1S/C15H19N5O2/c1-18-9-7-12(16-18)11-4-3-8-20(10-11)15(22)13-5-6-14(21)19(2)17-13/h5-7,9,11H,3-4,8,10H2,1-2H3
InChIKeyJWMQKGVGMBVRTB-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.53
Rot. Bonds2

About 2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one

2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one (PubChem CID 121021027) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one
PubChem CID121021027
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one
SMILESCn1ccc(C2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1
InChIInChI=1S/C15H19N5O2/c1-18-9-7-12(16-18)11-4-3-8-20(10-11)15(22)13-5-6-14(21)19(2)17-13/h5-7,9,11H,3-4,8,10H2,1-2H3
InChIKeyJWMQKGVGMBVRTB-UHFFFAOYSA-N
XLogP0.53
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one (CID 121021027) is 2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one is Cn1ccc(C2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1.
What is the InChIKey of 2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is JWMQKGVGMBVRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-18-9-7-12(16-18)11-4-3-8-20(10-11)15(22)13-5-6-14(21)19(2)17-13/h5-7,9,11H,3-4,8,10H2,1-2H3.
What are the key properties of 2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 301.35 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 121021027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).