N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide

C13H22N4O2 — CID 90226850

IUPACN-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCN1CCC(CCN(C)C(=O)c2cc(=O)[nH][nH]2)CC1
InChIInChI=1S/C13H22N4O2/c1-16-6-3-10(4-7-16)5-8-17(2)13(19)11-9-12(18)15-14-11/h9-10H,3-8H2,1-2H3,(H2,14,15,18)
InChIKeyIEZZYYCXZZIRAU-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.51
Rot. Bonds4

About N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 90226850) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID90226850
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCN1CCC(CCN(C)C(=O)c2cc(=O)[nH][nH]2)CC1
InChIInChI=1S/C13H22N4O2/c1-16-6-3-10(4-7-16)5-8-17(2)13(19)11-9-12(18)15-14-11/h9-10H,3-8H2,1-2H3,(H2,14,15,18)
InChIKeyIEZZYYCXZZIRAU-UHFFFAOYSA-N
XLogP0.51
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 90226850) is N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide is CN1CCC(CCN(C)C(=O)c2cc(=O)[nH][nH]2)CC1.
What is the InChIKey of N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is IEZZYYCXZZIRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16-6-3-10(4-7-16)5-8-17(2)13(19)11-9-12(18)15-14-11/h9-10H,3-8H2,1-2H3,(H2,14,15,18).
What are the key properties of N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 90226850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).