2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid

C7H11N3O2S — CID 155412629

IUPAC2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid
SMILESCc1nn(C)c(N)c1SCC(=O)O
InChIInChI=1S/C7H11N3O2S/c1-4-6(13-3-5(11)12)7(8)10(2)9-4/h3,8H2,1-2H3,(H,11,12)
InChIKeySFNTUXHDCBPDGO-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.49
Rot. Bonds3

About 2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid

2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid (PubChem CID 155412629) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid
PubChem CID155412629
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid
SMILESCc1nn(C)c(N)c1SCC(=O)O
InChIInChI=1S/C7H11N3O2S/c1-4-6(13-3-5(11)12)7(8)10(2)9-4/h3,8H2,1-2H3,(H,11,12)
InChIKeySFNTUXHDCBPDGO-UHFFFAOYSA-N
XLogP0.49
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid (CID 155412629) is 2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid is Cc1nn(C)c(N)c1SCC(=O)O.
What is the InChIKey of 2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid?
The InChIKey is SFNTUXHDCBPDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-4-6(13-3-5(11)12)7(8)10(2)9-4/h3,8H2,1-2H3,(H,11,12).
What are the key properties of 2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid?
2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid has a molecular weight of 201.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3-dimethylpyrazol-4-yl)sulfanylacetic acid is sourced from PubChem (CID 155412629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).