2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide

C12H20N4O2 — CID 122571995

IUPAC2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide
SMILESCc1[nH][nH]c(=O)c1CC(=O)NC1(C)CCNCC1
InChIInChI=1S/C12H20N4O2/c1-8-9(11(18)16-15-8)7-10(17)14-12(2)3-5-13-6-4-12/h13H,3-7H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyJAWMRPJRKMCVFR-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.19
Rot. Bonds3

About 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide

2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide (PubChem CID 122571995) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide
PubChem CID122571995
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide
SMILESCc1[nH][nH]c(=O)c1CC(=O)NC1(C)CCNCC1
InChIInChI=1S/C12H20N4O2/c1-8-9(11(18)16-15-8)7-10(17)14-12(2)3-5-13-6-4-12/h13H,3-7H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyJAWMRPJRKMCVFR-UHFFFAOYSA-N
XLogP-0.19
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide (CID 122571995) is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide is Cc1[nH][nH]c(=O)c1CC(=O)NC1(C)CCNCC1.
What is the InChIKey of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide?
The InChIKey is JAWMRPJRKMCVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-9(11(18)16-15-8)7-10(17)14-12(2)3-5-13-6-4-12/h13H,3-7H2,1-2H3,(H,14,17)(H2,15,16,18).
What are the key properties of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide?
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of -0.19, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(4-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 122571995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).