1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde

C8H10N2O3S — CID 105467540

IUPAC1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
SMILESCCn1nc(C=O)c2c1CS(=O)(=O)C2
InChIInChI=1S/C8H10N2O3S/c1-2-10-8-5-14(12,13)4-6(8)7(3-11)9-10/h3H,2,4-5H2,1H3
InChIKeyVSMDQASNUYFXQA-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.14
Rot. Bonds2

About 1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde

1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde (PubChem CID 105467540) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
PubChem CID105467540
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
SMILESCCn1nc(C=O)c2c1CS(=O)(=O)C2
InChIInChI=1S/C8H10N2O3S/c1-2-10-8-5-14(12,13)4-6(8)7(3-11)9-10/h3H,2,4-5H2,1H3
InChIKeyVSMDQASNUYFXQA-UHFFFAOYSA-N
XLogP0.14
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbaldehyde
CID 105452702
1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
CID 105461799
1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 83863026
(2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol
CID 121214505
methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate
CID 121214503
4-bromo-1-ethylpyrazole-3-carbaldehyde
CID 7019416
1-(1-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl)ethanone
CID 105467522
1-ethyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 105439059
2-ethylpyrazole-3-carbaldehyde
CID 7009534
1-ethyl-4-nitropyrazole-3-carbaldehyde
CID 126544083
1-hexyl-6-methoxyindazole-3-carbaldehyde
CID 142896051
1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole
CID 121292185

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde?
The IUPAC name of 1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde (CID 105467540) is 1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde is CCn1nc(C=O)c2c1CS(=O)(=O)C2.
What is the InChIKey of 1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde?
The InChIKey is VSMDQASNUYFXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-2-10-8-5-14(12,13)4-6(8)7(3-11)9-10/h3H,2,4-5H2,1H3.
What are the key properties of 1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde?
1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde has a molecular weight of 214.25 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105467540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).