2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide

C11H18N4OS — CID 55071161

IUPAC2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
SMILESCc1cc(SCC(NC2CC2)C(N)=O)n(C)n1
InChIInChI=1S/C11H18N4OS/c1-7-5-10(15(2)14-7)17-6-9(11(12)16)13-8-3-4-8/h5,8-9,13H,3-4,6H2,1-2H3,(H2,12,16)
InChIKeyVMJJANWBGZHYTJ-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.43
Rot. Bonds6

About 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide

2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide (PubChem CID 55071161) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
PubChem CID55071161
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
SMILESCc1cc(SCC(NC2CC2)C(N)=O)n(C)n1
InChIInChI=1S/C11H18N4OS/c1-7-5-10(15(2)14-7)17-6-9(11(12)16)13-8-3-4-8/h5,8-9,13H,3-4,6H2,1-2H3,(H2,12,16)
InChIKeyVMJJANWBGZHYTJ-UHFFFAOYSA-N
XLogP0.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
The IUPAC name of 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide (CID 55071161) is 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
The canonical SMILES for 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide is Cc1cc(SCC(NC2CC2)C(N)=O)n(C)n1.
What is the InChIKey of 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
The InChIKey is VMJJANWBGZHYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7-5-10(15(2)14-7)17-6-9(11(12)16)13-8-3-4-8/h5,8-9,13H,3-4,6H2,1-2H3,(H2,12,16).
What are the key properties of 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide has a molecular weight of 254.36 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide is sourced from PubChem (CID 55071161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).