2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid

C12H15N3O2S — CID 104730084

IUPAC2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid
SMILESCC(C)(C)c1cc2c(SCC(=O)O)nccn2n1
InChIInChI=1S/C12H15N3O2S/c1-12(2,3)9-6-8-11(18-7-10(16)17)13-4-5-15(8)14-9/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyGUVJKXOVKPGOIQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.20
Rot. Bonds3

About 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid

2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid (PubChem CID 104730084) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid
PubChem CID104730084
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid
SMILESCC(C)(C)c1cc2c(SCC(=O)O)nccn2n1
InChIInChI=1S/C12H15N3O2S/c1-12(2,3)9-6-8-11(18-7-10(16)17)13-4-5-15(8)14-9/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyGUVJKXOVKPGOIQ-UHFFFAOYSA-N
XLogP2.20
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid (CID 104730084) is 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid is CC(C)(C)c1cc2c(SCC(=O)O)nccn2n1.
What is the InChIKey of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid?
The InChIKey is GUVJKXOVKPGOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-12(2,3)9-6-8-11(18-7-10(16)17)13-4-5-15(8)14-9/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid?
2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid has a molecular weight of 265.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 104730084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).