4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one

C16H26N4O2 — CID 146092100

IUPAC4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one
SMILESCCc1c(C(=O)N2CC(=O)NC(C)C2)cnn1C(CC)CC
InChIInChI=1S/C16H26N4O2/c1-5-12(6-2)20-14(7-3)13(8-17-20)16(22)19-9-11(4)18-15(21)10-19/h8,11-12H,5-7,9-10H2,1-4H3,(H,18,21)
InChIKeyJPZAWNOXGXLWOS-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.77
Rot. Bonds5

About 4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one

4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one (PubChem CID 146092100) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one
PubChem CID146092100
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one
SMILESCCc1c(C(=O)N2CC(=O)NC(C)C2)cnn1C(CC)CC
InChIInChI=1S/C16H26N4O2/c1-5-12(6-2)20-14(7-3)13(8-17-20)16(22)19-9-11(4)18-15(21)10-19/h8,11-12H,5-7,9-10H2,1-4H3,(H,18,21)
InChIKeyJPZAWNOXGXLWOS-UHFFFAOYSA-N
XLogP1.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one?
The IUPAC name of 4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one (CID 146092100) is 4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one.
What is the SMILES notation for 4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one?
The canonical SMILES for 4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one is CCc1c(C(=O)N2CC(=O)NC(C)C2)cnn1C(CC)CC.
What is the InChIKey of 4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one?
The InChIKey is JPZAWNOXGXLWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-12(6-2)20-14(7-3)13(8-17-20)16(22)19-9-11(4)18-15(21)10-19/h8,11-12H,5-7,9-10H2,1-4H3,(H,18,21).
What are the key properties of 4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one?
4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one is sourced from PubChem (CID 146092100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).