3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid

C10H11N3O2S — CID 104730074

IUPAC3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid
SMILESCc1cc2c(SCCC(=O)O)nccn2n1
InChIInChI=1S/C10H11N3O2S/c1-7-6-8-10(16-5-2-9(14)15)11-3-4-13(8)12-7/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKeySYFPQGMHIYTTEF-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.60
Rot. Bonds4

About 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid

3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid (PubChem CID 104730074) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid
PubChem CID104730074
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid
SMILESCc1cc2c(SCCC(=O)O)nccn2n1
InChIInChI=1S/C10H11N3O2S/c1-7-6-8-10(16-5-2-9(14)15)11-3-4-13(8)12-7/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKeySYFPQGMHIYTTEF-UHFFFAOYSA-N
XLogP1.60
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid?
The IUPAC name of 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid (CID 104730074) is 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid.
What is the SMILES notation for 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid?
The canonical SMILES for 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid is Cc1cc2c(SCCC(=O)O)nccn2n1.
What is the InChIKey of 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid?
The InChIKey is SYFPQGMHIYTTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7-6-8-10(16-5-2-9(14)15)11-3-4-13(8)12-7/h3-4,6H,2,5H2,1H3,(H,14,15).
What are the key properties of 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid?
3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid has a molecular weight of 237.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid is sourced from PubChem (CID 104730074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).