1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile

C10H11N3O2S — CID 105499027

IUPAC1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
SMILESN#Cc1nn(C2CC2)c2c1CS(=O)(=O)CC2
InChIInChI=1S/C10H11N3O2S/c11-5-9-8-6-16(14,15)4-3-10(8)13(12-9)7-1-2-7/h7H,1-4,6H2
InChIKeyJJDSBTYZHVUMGY-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.56
Rot. Bonds1

About 1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile

1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile (PubChem CID 105499027) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
PubChem CID105499027
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
SMILESN#Cc1nn(C2CC2)c2c1CS(=O)(=O)CC2
InChIInChI=1S/C10H11N3O2S/c11-5-9-8-6-16(14,15)4-3-10(8)13(12-9)7-1-2-7/h7H,1-4,6H2
InChIKeyJJDSBTYZHVUMGY-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
CID 105499028
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
1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole
CID 137437585
(1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[3,4-d]imidazol-2-yl)methanamine
CID 83851068
1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105474398
3-(chloromethyl)-2-prop-2-ynyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 121214513
6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile
CID 114754476
2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile
CID 105450536
(2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol
CID 121214505
2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile
CID 105457821

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile?
The IUPAC name of 1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile (CID 105499027) is 1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile?
The canonical SMILES for 1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile is N#Cc1nn(C2CC2)c2c1CS(=O)(=O)CC2.
What is the InChIKey of 1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile?
The InChIKey is JJDSBTYZHVUMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-5-9-8-6-16(14,15)4-3-10(8)13(12-9)7-1-2-7/h7H,1-4,6H2.
What are the key properties of 1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile?
1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile has a molecular weight of 237.28 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile is sourced from PubChem (CID 105499027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).