3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide

C9H14N4OS — CID 3985387

IUPAC3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide
SMILESCSCCc1nn(C(N)=O)c2c1CCN2
InChIInChI=1S/C9H14N4OS/c1-15-5-3-7-6-2-4-11-8(6)13(12-7)9(10)14/h11H,2-5H2,1H3,(H2,10,14)
InChIKeyHDDSYWQGNUJLCE-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.68
Rot. Bonds3

About 3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide

3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide (PubChem CID 3985387) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide
PubChem CID3985387
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide
SMILESCSCCc1nn(C(N)=O)c2c1CCN2
InChIInChI=1S/C9H14N4OS/c1-15-5-3-7-6-2-4-11-8(6)13(12-7)9(10)14/h11H,2-5H2,1H3,(H2,10,14)
InChIKeyHDDSYWQGNUJLCE-UHFFFAOYSA-N
XLogP0.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide 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 3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide?
The IUPAC name of 3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide (CID 3985387) is 3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide.
What is the SMILES notation for 3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide?
The canonical SMILES for 3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide is CSCCc1nn(C(N)=O)c2c1CCN2.
What is the InChIKey of 3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide?
The InChIKey is HDDSYWQGNUJLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-15-5-3-7-6-2-4-11-8(6)13(12-7)9(10)14/h11H,2-5H2,1H3,(H2,10,14).
What are the key properties of 3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide?
3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide is sourced from PubChem (CID 3985387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).