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

C13H20N4O2 — CID 82870546

IUPAC6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(Cc2ccn(C)n2)C1=O
InChIInChI=1S/C13H20N4O2/c1-4-5-11-13(19)17(9(2)12(18)14-11)8-10-6-7-16(3)15-10/h6-7,9,11H,4-5,8H2,1-3H3,(H,14,18)
InChIKeyLVPWOKCKJAKDEL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.44
Rot. Bonds4

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

6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 82870546) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID82870546
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(Cc2ccn(C)n2)C1=O
InChIInChI=1S/C13H20N4O2/c1-4-5-11-13(19)17(9(2)12(18)14-11)8-10-6-7-16(3)15-10/h6-7,9,11H,4-5,8H2,1-3H3,(H,14,18)
InChIKeyLVPWOKCKJAKDEL-UHFFFAOYSA-N
XLogP0.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione (CID 82870546) is 6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(Cc2ccn(C)n2)C1=O.
What is the InChIKey of 6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is LVPWOKCKJAKDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-5-11-13(19)17(9(2)12(18)14-11)8-10-6-7-16(3)15-10/h6-7,9,11H,4-5,8H2,1-3H3,(H,14,18).
What are the key properties of 6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione?
6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 0.44, 4 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-3-yl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 82870546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).