1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one

C16H26N4O2 — CID 70729133

IUPAC1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
SMILESCCCCN1CCN(C(=O)c2cc(C(C)C)nn2C)CC1=O
InChIInChI=1S/C16H26N4O2/c1-5-6-7-19-8-9-20(11-15(19)21)16(22)14-10-13(12(2)3)17-18(14)4/h10,12H,5-9,11H2,1-4H3
InChIKeyJYXIZQOEPQKYJA-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.63
Rot. Bonds5

About 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one

1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one (PubChem CID 70729133) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
PubChem CID70729133
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
SMILESCCCCN1CCN(C(=O)c2cc(C(C)C)nn2C)CC1=O
InChIInChI=1S/C16H26N4O2/c1-5-6-7-19-8-9-20(11-15(19)21)16(22)14-10-13(12(2)3)17-18(14)4/h10,12H,5-9,11H2,1-4H3
InChIKeyJYXIZQOEPQKYJA-UHFFFAOYSA-N
XLogP1.63
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one (CID 70729133) is 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one is CCCCN1CCN(C(=O)c2cc(C(C)C)nn2C)CC1=O.
What is the InChIKey of 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
The InChIKey is JYXIZQOEPQKYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-6-7-19-8-9-20(11-15(19)21)16(22)14-10-13(12(2)3)17-18(14)4/h10,12H,5-9,11H2,1-4H3.
What are the key properties of 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 70729133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).