2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile

C7H7N3O2S — CID 105450536

IUPAC2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile
SMILESCn1nc2c(c1C#N)CS(=O)(=O)C2
InChIInChI=1S/C7H7N3O2S/c1-10-7(2-8)5-3-13(11,12)4-6(5)9-10/h3-4H2,1H3
InChIKeyBYSFPQYDCCHQJR-UHFFFAOYSA-N
MW197.22 g/mol
LogP-0.28
Rot. Bonds

About 2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile

2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile (PubChem CID 105450536) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile
PubChem CID105450536
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile
SMILESCn1nc2c(c1C#N)CS(=O)(=O)C2
InChIInChI=1S/C7H7N3O2S/c1-10-7(2-8)5-3-13(11,12)4-6(5)9-10/h3-4H2,1H3
InChIKeyBYSFPQYDCCHQJR-UHFFFAOYSA-N
XLogP-0.28
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbaldehyde
CID 105452702
2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 105431907
2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105453536
1-(1-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl)ethanone
CID 105467522
(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile
CID 122434191
1-(2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-yl)ethanone
CID 105485518
3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide
CID 59050155
3-cyano-2-methylindazole-5-carboxylic acid;ethane
CID 170759805
7-ethyl-2-methylindazole-3-carbonitrile
CID 174309536
2,7-dimethylindazole-3-carbonitrile
CID 84717403
3-amino-1-methylpyrazole-4,5-dicarbonitrile
CID 5231924
2-methyl-6-methylsulfonylindazole-3-carbonitrile
CID 170759730

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile?
The IUPAC name of 2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile (CID 105450536) is 2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile.
What is the SMILES notation for 2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile?
The canonical SMILES for 2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile is Cn1nc2c(c1C#N)CS(=O)(=O)C2.
What is the InChIKey of 2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile?
The InChIKey is BYSFPQYDCCHQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c1-10-7(2-8)5-3-13(11,12)4-6(5)9-10/h3-4H2,1H3.
What are the key properties of 2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile?
2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile has a molecular weight of 197.22 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile is sourced from PubChem (CID 105450536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).