2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide

C11H17N5OS — CID 79294707

IUPAC2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=S)[nH]c2c(C)nn(C)c21
InChIInChI=1S/C11H17N5OS/c1-4-5-12-8(17)6-16-10-9(13-11(16)18)7(2)14-15(10)3/h4-6H2,1-3H3,(H,12,17)(H,13,18)
InChIKeyQSTXBAXIUCATTL-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.27
Rot. Bonds4

About 2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide

2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide (PubChem CID 79294707) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide
PubChem CID79294707
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=S)[nH]c2c(C)nn(C)c21
InChIInChI=1S/C11H17N5OS/c1-4-5-12-8(17)6-16-10-9(13-11(16)18)7(2)14-15(10)3/h4-6H2,1-3H3,(H,12,17)(H,13,18)
InChIKeyQSTXBAXIUCATTL-UHFFFAOYSA-N
XLogP1.27
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-6-(2-methylsulfonylethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79294852
1,3-dimethyl-6-(2,2,3,3-tetrafluoropropyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 114169156
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
1,3-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79294276
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
2-(5-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)-N-propylacetamide
CID 43661139
2-[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]-N-propylacetamide
CID 66147809
N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide
CID 79401664
6-[(2-fluorophenyl)methyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79294769
1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79294564
N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide
CID 79377062
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide
CID 55243652

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide?
The IUPAC name of 2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide (CID 79294707) is 2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide.
What is the SMILES notation for 2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide?
The canonical SMILES for 2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide is CCCNC(=O)Cn1c(=S)[nH]c2c(C)nn(C)c21.
What is the InChIKey of 2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide?
The InChIKey is QSTXBAXIUCATTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-4-5-12-8(17)6-16-10-9(13-11(16)18)7(2)14-15(10)3/h4-6H2,1-3H3,(H,12,17)(H,13,18).
What are the key properties of 2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide?
2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide has a molecular weight of 267.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N-propylacetamide is sourced from PubChem (CID 79294707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).