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

C17H23N5O2 — CID 52906717

IUPAC6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCc1cc(C)n(CC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)n1
InChIInChI=1S/C17H23N5O2/c1-12-10-13(2)22(18-12)11-14-6-8-21(9-7-14)17(24)15-4-5-16(23)20(3)19-15/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyXUAXCUQAFJUFNX-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.15
Rot. Bonds3

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

6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 52906717) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID52906717
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCc1cc(C)n(CC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)n1
InChIInChI=1S/C17H23N5O2/c1-12-10-13(2)22(18-12)11-14-6-8-21(9-7-14)17(24)15-4-5-16(23)20(3)19-15/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyXUAXCUQAFJUFNX-UHFFFAOYSA-N
XLogP1.15
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 53626370
6-[3-(3,5-Dimethylpyrazol-1-yl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 56779796
4-[3-(3,5-Dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 72142636
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 72875294
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72887240
2-{5-methyl-3-[(4-methyl-1-piperazinyl)carbonyl]-1-pyrazolyl}-1-[(S)-3-methyl-1-piperidyl]-1-ethanone
CID 42285731
Cyclobutyl-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907393
1-methyl-5-({methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}methyl)-2(1H)-pyridinone
CID 53191678
1-Ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one
CID 53191753
1-Ethyl-5-({methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]amino}methyl)-1,2-dihydropyridin-2-one
CID 53191755
1-Methyl-4-[[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyridin-2-one
CID 53191784
1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 53202216

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one (CID 52906717) is 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one is Cc1cc(C)n(CC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)n1.
What is the InChIKey of 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is XUAXCUQAFJUFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-10-13(2)22(18-12)11-14-6-8-21(9-7-14)17(24)15-4-5-16(23)20(3)19-15/h4-5,10,14H,6-9,11H2,1-3H3.
What are the key properties of 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 329.40 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 52906717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).