N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide

C11H17N5O2 — CID 171550670

IUPACN-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide
SMILESCNC(=O)CCn1ccc(N2CCNCC2=O)n1
InChIInChI=1S/C11H17N5O2/c1-12-10(17)3-6-15-5-2-9(14-15)16-7-4-13-8-11(16)18/h2,5,13H,3-4,6-8H2,1H3,(H,12,17)
InChIKeyZSEBLPCJYDJRGL-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.04
Rot. Bonds4

About N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide

N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide (PubChem CID 171550670) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide
PubChem CID171550670
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide
SMILESCNC(=O)CCn1ccc(N2CCNCC2=O)n1
InChIInChI=1S/C11H17N5O2/c1-12-10(17)3-6-15-5-2-9(14-15)16-7-4-13-8-11(16)18/h2,5,13H,3-4,6-8H2,1H3,(H,12,17)
InChIKeyZSEBLPCJYDJRGL-UHFFFAOYSA-N
XLogP-1.04
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide?
The IUPAC name of N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide (CID 171550670) is N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide is CNC(=O)CCn1ccc(N2CCNCC2=O)n1.
What is the InChIKey of N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide?
The InChIKey is ZSEBLPCJYDJRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-12-10(17)3-6-15-5-2-9(14-15)16-7-4-13-8-11(16)18/h2,5,13H,3-4,6-8H2,1H3,(H,12,17).
What are the key properties of N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide?
N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide has a molecular weight of 251.29 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 171550670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).