4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione

C11H17N5O2 — CID 66061316

IUPAC4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione
SMILESCCn1nc(C)c(N)c1N1CC(=O)NC(=O)C1C
InChIInChI=1S/C11H17N5O2/c1-4-16-11(9(12)6(2)14-16)15-5-8(17)13-10(18)7(15)3/h7H,4-5,12H2,1-3H3,(H,13,17,18)
InChIKeyXGHUWZHDKZCHGJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.36
Rot. Bonds2

About 4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione

4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione (PubChem CID 66061316) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione
PubChem CID66061316
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione
SMILESCCn1nc(C)c(N)c1N1CC(=O)NC(=O)C1C
InChIInChI=1S/C11H17N5O2/c1-4-16-11(9(12)6(2)14-16)15-5-8(17)13-10(18)7(15)3/h7H,4-5,12H2,1-3H3,(H,13,17,18)
InChIKeyXGHUWZHDKZCHGJ-UHFFFAOYSA-N
XLogP-0.36
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione
CID 66062479
1,3-dimethyl-5-(2-methyl-3,5-dioxopiperazin-1-yl)pyrazole-4-carbaldehyde
CID 66060782
4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 66063648
1-ethyl-3-methyl-5-piperidin-1-ylpyrazol-4-amine
CID 66012579
4-(3-amino-5-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 66278903
4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 79827948
4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)morpholine-3-carboxamide
CID 83101182
1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide
CID 66012640
5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine
CID 66011690
4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one
CID 66123902
1-ethyl-3-methyl-5-(2-pyridin-4-ylpyrrolidin-1-yl)pyrazol-4-amine
CID 66011453
1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol
CID 112747122

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione (CID 66061316) is 4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione is CCn1nc(C)c(N)c1N1CC(=O)NC(=O)C1C.
What is the InChIKey of 4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione?
The InChIKey is XGHUWZHDKZCHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-4-16-11(9(12)6(2)14-16)15-5-8(17)13-10(18)7(15)3/h7H,4-5,12H2,1-3H3,(H,13,17,18).
What are the key properties of 4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione?
4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione has a molecular weight of 251.29 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66061316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).