3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione

C14H22N4O3 — CID 64966150

IUPAC3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2cnn(CCOC)c2)C1=O
InChIInChI=1S/C14H22N4O3/c1-4-11-14(20)18(12(5-2)13(19)16-11)10-8-15-17(9-10)6-7-21-3/h8-9,11-12H,4-7H2,1-3H3,(H,16,19)
InChIKeyXHJPWMUNGFQERA-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.55
Rot. Bonds6

About 3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione

3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione (PubChem CID 64966150) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione
PubChem CID64966150
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2cnn(CCOC)c2)C1=O
InChIInChI=1S/C14H22N4O3/c1-4-11-14(20)18(12(5-2)13(19)16-11)10-8-15-17(9-10)6-7-21-3/h8-9,11-12H,4-7H2,1-3H3,(H,16,19)
InChIKeyXHJPWMUNGFQERA-UHFFFAOYSA-N
XLogP0.55
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione (CID 64966150) is 3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione is CCC1NC(=O)C(CC)N(c2cnn(CCOC)c2)C1=O.
What is the InChIKey of 3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione?
The InChIKey is XHJPWMUNGFQERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-11-14(20)18(12(5-2)13(19)16-11)10-8-15-17(9-10)6-7-21-3/h8-9,11-12H,4-7H2,1-3H3,(H,16,19).
What are the key properties of 3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione?
3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione has a molecular weight of 294.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione is sourced from PubChem (CID 64966150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).