1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide

C13H14N6S — CID 104733768

IUPAC1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide
SMILESCC(C)c1cc2c(-n3ccnc3C(N)=S)nccn2n1
InChIInChI=1S/C13H14N6S/c1-8(2)9-7-10-12(15-4-6-19(10)17-9)18-5-3-16-13(18)11(14)20/h3-8H,1-2H3,(H2,14,20)
InChIKeyMODUBIWRBJEHSG-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.67
Rot. Bonds3

About 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide

1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide (PubChem CID 104733768) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide.

Molecular Properties

Compound Name1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide
PubChem CID104733768
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide
SMILESCC(C)c1cc2c(-n3ccnc3C(N)=S)nccn2n1
InChIInChI=1S/C13H14N6S/c1-8(2)9-7-10-12(15-4-6-19(10)17-9)18-5-3-16-13(18)11(14)20/h3-8H,1-2H3,(H2,14,20)
InChIKeyMODUBIWRBJEHSG-UHFFFAOYSA-N
XLogP1.67
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide?
The IUPAC name of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide (CID 104733768) is 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide.
What is the SMILES notation for 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide?
The canonical SMILES for 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide is CC(C)c1cc2c(-n3ccnc3C(N)=S)nccn2n1.
What is the InChIKey of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide?
The InChIKey is MODUBIWRBJEHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-8(2)9-7-10-12(15-4-6-19(10)17-9)18-5-3-16-13(18)11(14)20/h3-8H,1-2H3,(H2,14,20).
What are the key properties of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide?
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide has a molecular weight of 286.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide is sourced from PubChem (CID 104733768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).