6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione

C12H18N4O2 — CID 64960563

IUPAC6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(c2cnn(C)c2)C1=O
InChIInChI=1S/C12H18N4O2/c1-4-5-10-12(18)16(8(2)11(17)14-10)9-6-13-15(3)7-9/h6-8,10H,4-5H2,1-3H3,(H,14,17)
InChIKeyNNABFNQVTCVLJO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.44
Rot. Bonds3

About 6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione

6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione (PubChem CID 64960563) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione
PubChem CID64960563
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(c2cnn(C)c2)C1=O
InChIInChI=1S/C12H18N4O2/c1-4-5-10-12(18)16(8(2)11(17)14-10)9-6-13-15(3)7-9/h6-8,10H,4-5H2,1-3H3,(H,14,17)
InChIKeyNNABFNQVTCVLJO-UHFFFAOYSA-N
XLogP0.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960560
6-methyl-1-(4-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959354
1-(4-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962386
1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64959643
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione
CID 64961148
3-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944186
1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 114840981
1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 102807639
1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962473
6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 107056389
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960512

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione (CID 64960563) is 6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(c2cnn(C)c2)C1=O.
What is the InChIKey of 6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione?
The InChIKey is NNABFNQVTCVLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-5-10-12(18)16(8(2)11(17)14-10)9-6-13-15(3)7-9/h6-8,10H,4-5H2,1-3H3,(H,14,17).
What are the key properties of 6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione?
6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione has a molecular weight of 250.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64960563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).