6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C16H23N5O2 — CID 56779796

IUPAC6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCc1cc(C)n(C2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)n1
InChIInChI=1S/C16H23N5O2/c1-11-9-12(2)21(17-11)13-5-4-8-20(10-13)16(23)14-6-7-15(22)19(3)18-14/h9,13H,4-8,10H2,1-3H3
InChIKeyKXLTZFKJVICKIB-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.27
Rot. Bonds2

About 6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 56779796) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID56779796
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCc1cc(C)n(C2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)n1
InChIInChI=1S/C16H23N5O2/c1-11-9-12(2)21(17-11)13-5-4-8-20(10-13)16(23)14-6-7-15(22)19(3)18-14/h9,13H,4-8,10H2,1-3H3
InChIKeyKXLTZFKJVICKIB-UHFFFAOYSA-N
XLogP1.27
TPSA70.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 56779796) is 6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is Cc1cc(C)n(C2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)n1.
What is the InChIKey of 6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is KXLTZFKJVICKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-9-12(2)21(17-11)13-5-4-8-20(10-13)16(23)14-6-7-15(22)19(3)18-14/h9,13H,4-8,10H2,1-3H3.
What are the key properties of 6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 317.39 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 56779796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).