4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one

C11H15N5OS — CID 106185107

IUPAC4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one
SMILESCCc1nn(C)c2c1[nH]c(=S)n2C1CNC(=O)C1
InChIInChI=1S/C11H15N5OS/c1-3-7-9-10(15(2)14-7)16(11(18)13-9)6-4-8(17)12-5-6/h6H,3-5H2,1-2H3,(H,12,17)(H,13,18)
InChIKeyLZILOJXHJSTMEB-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.06
Rot. Bonds2

About 4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one

4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one (PubChem CID 106185107) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one
PubChem CID106185107
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one
SMILESCCc1nn(C)c2c1[nH]c(=S)n2C1CNC(=O)C1
InChIInChI=1S/C11H15N5OS/c1-3-7-9-10(15(2)14-7)16(11(18)13-9)6-4-8(17)12-5-6/h6H,3-5H2,1-2H3,(H,12,17)(H,13,18)
InChIKeyLZILOJXHJSTMEB-UHFFFAOYSA-N
XLogP1.06
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one?
The IUPAC name of 4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one (CID 106185107) is 4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one is CCc1nn(C)c2c1[nH]c(=S)n2C1CNC(=O)C1.
What is the InChIKey of 4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one?
The InChIKey is LZILOJXHJSTMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-7-9-10(15(2)14-7)16(11(18)13-9)6-4-8(17)12-5-6/h6H,3-5H2,1-2H3,(H,12,17)(H,13,18).
What are the key properties of 4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one?
4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one has a molecular weight of 265.34 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one is sourced from PubChem (CID 106185107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).