5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one

C11H17N3O2 — CID 110600685

IUPAC5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESCC1CCCC(C)N1C(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C11H17N3O2/c1-7-4-3-5-8(2)14(7)11(16)9-6-10(15)13-12-9/h6-8H,3-5H2,1-2H3,(H2,12,13,15)
InChIKeyWVFZGXBRELVMSN-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.11
Rot. Bonds1

About 5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one

5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one (PubChem CID 110600685) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
PubChem CID110600685
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESCC1CCCC(C)N1C(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C11H17N3O2/c1-7-4-3-5-8(2)14(7)11(16)9-6-10(15)13-12-9/h6-8H,3-5H2,1-2H3,(H2,12,13,15)
InChIKeyWVFZGXBRELVMSN-UHFFFAOYSA-N
XLogP1.11
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-((1r,4r)-4-ammocyclohexyl)-3-hydroxy-1-methyl-1H-pyrazole-5-carboxamide
CID 132227806
3-hydroxy-1-methyl-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 132227815
5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one
CID 154843440
N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide
CID 90224495
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 90226850
N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide
CID 118690580
(E)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide
CID 2390057
(Z)-N-cyclohexyl-3-[2-(2-oxo-2-piperidin-1-ylacetyl)hydrazinyl]but-2-enamide
CID 5680399
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,6-dimethylpiperidin-1-yl)acetamide
CID 83013190
3-methyl-1-(piperidin-2-ylmethyl)-1H-pyrazol-5-ol
CID 84720578
5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one
CID 102406422
N-cyclohexyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466311

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one (CID 110600685) is 5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one is CC1CCCC(C)N1C(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of 5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The InChIKey is WVFZGXBRELVMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-4-3-5-8(2)14(7)11(16)9-6-10(15)13-12-9/h6-8H,3-5H2,1-2H3,(H2,12,13,15).
What are the key properties of 5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one has a molecular weight of 223.28 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 110600685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).