3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one

C14H24N4O — CID 64777692

IUPAC3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one
SMILESCCC(CC)n1ccc(CN2CCNC(C)C2=O)n1
InChIInChI=1S/C14H24N4O/c1-4-13(5-2)18-8-6-12(16-18)10-17-9-7-15-11(3)14(17)19/h6,8,11,13,15H,4-5,7,9-10H2,1-3H3
InChIKeyGPZKFQPFDJFZQZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.56
Rot. Bonds5

About 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one

3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one (PubChem CID 64777692) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one
PubChem CID64777692
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one
SMILESCCC(CC)n1ccc(CN2CCNC(C)C2=O)n1
InChIInChI=1S/C14H24N4O/c1-4-13(5-2)18-8-6-12(16-18)10-17-9-7-15-11(3)14(17)19/h6,8,11,13,15H,4-5,7,9-10H2,1-3H3
InChIKeyGPZKFQPFDJFZQZ-UHFFFAOYSA-N
XLogP1.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one?
The IUPAC name of 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one (CID 64777692) is 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one is CCC(CC)n1ccc(CN2CCNC(C)C2=O)n1.
What is the InChIKey of 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one?
The InChIKey is GPZKFQPFDJFZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-13(5-2)18-8-6-12(16-18)10-17-9-7-15-11(3)14(17)19/h6,8,11,13,15H,4-5,7,9-10H2,1-3H3.
What are the key properties of 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one?
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one is sourced from PubChem (CID 64777692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).