1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile

C10H11N3O2S — CID 105499028

IUPAC1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
SMILESN#Cc1nn(C2CCC2)c2c1CS(=O)(=O)C2
InChIInChI=1S/C10H11N3O2S/c11-4-9-8-5-16(14,15)6-10(8)13(12-9)7-2-1-3-7/h7H,1-3,5-6H2
InChIKeyRYYCJRFOEHOEOQ-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.91
Rot. Bonds1

About 1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile

1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile (PubChem CID 105499028) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
PubChem CID105499028
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
SMILESN#Cc1nn(C2CCC2)c2c1CS(=O)(=O)C2
InChIInChI=1S/C10H11N3O2S/c11-4-9-8-5-16(14,15)6-10(8)13(12-9)7-2-1-3-7/h7H,1-3,5-6H2
InChIKeyRYYCJRFOEHOEOQ-UHFFFAOYSA-N
XLogP0.91
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile 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

1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
CID 105499027
1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
CID 105487277
1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
CID 105493457
2-cyclopentyl-3,5-dioxo-4-propyl-1,2,4-triazine-6-carbonitrile
CID 46881995
2-cyclobutyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105443534
2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile
CID 105450536
2-cyclopentylpyrazole-3-carbonitrile
CID 105431659
1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105474398
2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbaldehyde
CID 105452702
2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105489761
2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105456399
1-cycloheptylimidazole-4,5-dicarbonitrile
CID 112595680

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile?
The IUPAC name of 1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile (CID 105499028) is 1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile.
What is the SMILES notation for 1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile?
The canonical SMILES for 1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile is N#Cc1nn(C2CCC2)c2c1CS(=O)(=O)C2.
What is the InChIKey of 1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile?
The InChIKey is RYYCJRFOEHOEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-4-9-8-5-16(14,15)6-10(8)13(12-9)7-2-1-3-7/h7H,1-3,5-6H2.
What are the key properties of 1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile?
1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile has a molecular weight of 237.28 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile is sourced from PubChem (CID 105499028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).