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

C14H20N4O2 — CID 64961110

IUPAC3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCn1cc(N2C(=O)C(C)(C3CC3)NC(=O)C2C)cn1
InChIInChI=1S/C14H20N4O2/c1-4-17-8-11(7-15-17)18-9(2)12(19)16-14(3,13(18)20)10-5-6-10/h7-10H,4-6H2,1-3H3,(H,16,19)
InChIKeyGKWQNGQGGWRVDU-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.92
Rot. Bonds3

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

3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64961110) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID64961110
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCn1cc(N2C(=O)C(C)(C3CC3)NC(=O)C2C)cn1
InChIInChI=1S/C14H20N4O2/c1-4-17-8-11(7-15-17)18-9(2)12(19)16-14(3,13(18)20)10-5-6-10/h7-10H,4-6H2,1-3H3,(H,16,19)
InChIKeyGKWQNGQGGWRVDU-UHFFFAOYSA-N
XLogP0.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.92
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)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione (CID 64961110) is 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione is CCn1cc(N2C(=O)C(C)(C3CC3)NC(=O)C2C)cn1.
What is the InChIKey of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is GKWQNGQGGWRVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-17-8-11(7-15-17)18-9(2)12(19)16-14(3,13(18)20)10-5-6-10/h7-10H,4-6H2,1-3H3,(H,16,19).
What are the key properties of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione?
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 0.92, 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)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64961110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).