N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide

C12H16N4O3 — CID 103894268

IUPACN-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H16N4O3/c1-3-8-7(6-16(2)15-8)11(18)13-9-4-5-10(17)14-12(9)19/h6,9H,3-5H2,1-2H3,(H,13,18)(H,14,17,19)
InChIKeyKTFNSUIMBUHACP-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.48
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide

N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 103894268) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID103894268
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H16N4O3/c1-3-8-7(6-16(2)15-8)11(18)13-9-4-5-10(17)14-12(9)19/h6,9H,3-5H2,1-2H3,(H,13,18)(H,14,17,19)
InChIKeyKTFNSUIMBUHACP-UHFFFAOYSA-N
XLogP-0.48
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide (CID 103894268) is N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is KTFNSUIMBUHACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-8-7(6-16(2)15-8)11(18)13-9-4-5-10(17)14-12(9)19/h6,9H,3-5H2,1-2H3,(H,13,18)(H,14,17,19).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 103894268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).