2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide

C13H22N4OS — CID 55070498

IUPAC2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide
SMILESCc1cc(SCCC(C)(NC2CC2)C(N)=O)n(C)n1
InChIInChI=1S/C13H22N4OS/c1-9-8-11(17(3)16-9)19-7-6-13(2,12(14)18)15-10-4-5-10/h8,10,15H,4-7H2,1-3H3,(H2,14,18)
InChIKeyOPVJCUOJFXLGHM-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.21
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide

2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide (PubChem CID 55070498) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide
PubChem CID55070498
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide
SMILESCc1cc(SCCC(C)(NC2CC2)C(N)=O)n(C)n1
InChIInChI=1S/C13H22N4OS/c1-9-8-11(17(3)16-9)19-7-6-13(2,12(14)18)15-10-4-5-10/h8,10,15H,4-7H2,1-3H3,(H2,14,18)
InChIKeyOPVJCUOJFXLGHM-UHFFFAOYSA-N
XLogP1.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide 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 2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide (CID 55070498) is 2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide is Cc1cc(SCCC(C)(NC2CC2)C(N)=O)n(C)n1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide?
The InChIKey is OPVJCUOJFXLGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9-8-11(17(3)16-9)19-7-6-13(2,12(14)18)15-10-4-5-10/h8,10,15H,4-7H2,1-3H3,(H2,14,18).
What are the key properties of 2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide?
2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide has a molecular weight of 282.41 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanamide is sourced from PubChem (CID 55070498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).