3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione

C13H18N4O2 — CID 64961148

IUPAC3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione
SMILESCCn1cc(N2C(=O)C(C3CC3)NC(=O)C2C)cn1
InChIInChI=1S/C13H18N4O2/c1-3-16-7-10(6-14-16)17-8(2)12(18)15-11(13(17)19)9-4-5-9/h6-9,11H,3-5H2,1-2H3,(H,15,18)
InChIKeyLINMZFPYLQCPPB-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.53
Rot. Bonds3

About 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione

3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione (PubChem CID 64961148) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione
PubChem CID64961148
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione
SMILESCCn1cc(N2C(=O)C(C3CC3)NC(=O)C2C)cn1
InChIInChI=1S/C13H18N4O2/c1-3-16-7-10(6-14-16)17-8(2)12(18)15-11(13(17)19)9-4-5-9/h6-9,11H,3-5H2,1-2H3,(H,15,18)
InChIKeyLINMZFPYLQCPPB-UHFFFAOYSA-N
XLogP0.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione (CID 64961148) is 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione is CCn1cc(N2C(=O)C(C3CC3)NC(=O)C2C)cn1.
What is the InChIKey of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione?
The InChIKey is LINMZFPYLQCPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-16-7-10(6-14-16)17-8(2)12(18)15-11(13(17)19)9-4-5-9/h6-9,11H,3-5H2,1-2H3,(H,15,18).
What are the key properties of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione?
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64961148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).