2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one

C10H17N3O — CID 168921719

IUPAC2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one
SMILESCN1CCC(c2cc(=O)n(C)[nH]2)CC1
InChIInChI=1S/C10H17N3O/c1-12-5-3-8(4-6-12)9-7-10(14)13(2)11-9/h7-8,11H,3-6H2,1-2H3
InChIKeyKHYTTXBNOJTODB-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.52
Rot. Bonds1

About 2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one

2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one (PubChem CID 168921719) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one
PubChem CID168921719
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one
SMILESCN1CCC(c2cc(=O)n(C)[nH]2)CC1
InChIInChI=1S/C10H17N3O/c1-12-5-3-8(4-6-12)9-7-10(14)13(2)11-9/h7-8,11H,3-6H2,1-2H3
InChIKeyKHYTTXBNOJTODB-UHFFFAOYSA-N
XLogP0.52
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one?
The IUPAC name of 2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one (CID 168921719) is 2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one is CN1CCC(c2cc(=O)n(C)[nH]2)CC1.
What is the InChIKey of 2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one?
The InChIKey is KHYTTXBNOJTODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-5-3-8(4-6-12)9-7-10(14)13(2)11-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one?
2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 168921719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).