1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione

C10H12N4O4 — CID 112597908

IUPAC1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione
SMILESCOCCn1cc(N2C(=O)CC(=O)NC2=O)cn1
InChIInChI=1S/C10H12N4O4/c1-18-3-2-13-6-7(5-11-13)14-9(16)4-8(15)12-10(14)17/h5-6H,2-4H2,1H3,(H,12,15,17)
InChIKeyFPLGKGDZGSJHAT-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.50
Rot. Bonds4

About 1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione

1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione (PubChem CID 112597908) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione
PubChem CID112597908
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione
SMILESCOCCn1cc(N2C(=O)CC(=O)NC2=O)cn1
InChIInChI=1S/C10H12N4O4/c1-18-3-2-13-6-7(5-11-13)14-9(16)4-8(15)12-10(14)17/h5-6H,2-4H2,1H3,(H,12,15,17)
InChIKeyFPLGKGDZGSJHAT-UHFFFAOYSA-N
XLogP-0.50
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione
CID 79517733
1-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione
CID 112597986
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,4-diazepane-2,5-dione
CID 64966163
8-[1-(2-methoxyethyl)pyrazol-4-yl]-8-azabicyclo[3.2.1]octan-3-one
CID 62740150
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane-2,5-dione
CID 64966186
6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione
CID 64966235
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
3,6-diethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-2,5-dione
CID 64966150
2-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939617
4-cyclopropyl-1-(2-methoxyethyl)pyrazole
CID 170573805
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-propyl-1,4-diazepane
CID 64944621

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione (CID 112597908) is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione is COCCn1cc(N2C(=O)CC(=O)NC2=O)cn1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione?
The InChIKey is FPLGKGDZGSJHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-18-3-2-13-6-7(5-11-13)14-9(16)4-8(15)12-10(14)17/h5-6H,2-4H2,1H3,(H,12,15,17).
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione?
1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione has a molecular weight of 252.23 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112597908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).