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

C15H21N5O2 — CID 90495112

IUPAC2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCC(Cn3cccn3)CC2)CCC1=O
InChIInChI=1S/C15H21N5O2/c1-18-14(21)4-3-13(17-18)15(22)19-9-5-12(6-10-19)11-20-8-2-7-16-20/h2,7-8,12H,3-6,9-11H2,1H3
InChIKeyBHLSAAOSJXLAEM-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.73
Rot. Bonds3

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

2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 90495112) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID90495112
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCC(Cn3cccn3)CC2)CCC1=O
InChIInChI=1S/C15H21N5O2/c1-18-14(21)4-3-13(17-18)15(22)19-9-5-12(6-10-19)11-20-8-2-7-16-20/h2,7-8,12H,3-6,9-11H2,1H3
InChIKeyBHLSAAOSJXLAEM-UHFFFAOYSA-N
XLogP0.73
TPSA70.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95347326
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 115746625
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 90494857
6-(4-acetylpiperazine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one
CID 47016916
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001709
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
(2-bromophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494885
(2-methylsulfanylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494929
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 90495112) is 2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCC(Cn3cccn3)CC2)CCC1=O.
What is the InChIKey of 2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is BHLSAAOSJXLAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-18-14(21)4-3-13(17-18)15(22)19-9-5-12(6-10-19)11-20-8-2-7-16-20/h2,7-8,12H,3-6,9-11H2,1H3.
What are the key properties of 2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 303.37 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 90495112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).