3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione

C14H22N4O2 — CID 64970255

IUPAC3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(c2cnn(C(C)C)c2)C1=O
InChIInChI=1S/C14H22N4O2/c1-8(2)12-13(19)16-10(5)14(20)18(12)11-6-15-17(7-11)9(3)4/h6-10,12H,1-5H3,(H,16,19)
InChIKeyXIQLQOQYDQNAHV-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.34
Rot. Bonds3

About 3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione

3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione (PubChem CID 64970255) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione
PubChem CID64970255
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(c2cnn(C(C)C)c2)C1=O
InChIInChI=1S/C14H22N4O2/c1-8(2)12-13(19)16-10(5)14(20)18(12)11-6-15-17(7-11)9(3)4/h6-10,12H,1-5H3,(H,16,19)
InChIKeyXIQLQOQYDQNAHV-UHFFFAOYSA-N
XLogP1.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione (CID 64970255) is 3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(c2cnn(C(C)C)c2)C1=O.
What is the InChIKey of 3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione?
The InChIKey is XIQLQOQYDQNAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-8(2)12-13(19)16-10(5)14(20)18(12)11-6-15-17(7-11)9(3)4/h6-10,12H,1-5H3,(H,16,19).
What are the key properties of 3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione?
3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione has a molecular weight of 278.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 64970255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).