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

C9H9N3O2S — CID 104730083

IUPAC2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid
SMILESCc1cc2c(SCC(=O)O)nccn2n1
InChIInChI=1S/C9H9N3O2S/c1-6-4-7-9(15-5-8(13)14)10-2-3-12(7)11-6/h2-4H,5H2,1H3,(H,13,14)
InChIKeyBLWMVBFPLSZNEX-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.21
Rot. Bonds3

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

2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid (PubChem CID 104730083) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid
PubChem CID104730083
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid
SMILESCc1cc2c(SCC(=O)O)nccn2n1
InChIInChI=1S/C9H9N3O2S/c1-6-4-7-9(15-5-8(13)14)10-2-3-12(7)11-6/h2-4H,5H2,1H3,(H,13,14)
InChIKeyBLWMVBFPLSZNEX-UHFFFAOYSA-N
XLogP1.21
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-([1,3]Thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetic acid
CID 2810546
2-[1-Pyridin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylacetic acid
CID 62409905
2-[3-(Difluoromethyl)-1-pyridin-4-ylpyrazol-5-yl]sulfanylacetic acid
CID 62891233
2-[4-Methyl-1-pyridin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylacetic acid
CID 63743420
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoic acid
CID 104730076
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoic acid
CID 104730080
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetic acid
CID 104730085
2-Methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoic acid
CID 104730109
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutanoic acid
CID 104730119
Methyl 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutanoate
CID 104730123
Methyl 2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoate
CID 104730128
2-Methyl-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropanoic acid
CID 104730139

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid (CID 104730083) is 2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid is Cc1cc2c(SCC(=O)O)nccn2n1.
What is the InChIKey of 2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid?
The InChIKey is BLWMVBFPLSZNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-6-4-7-9(15-5-8(13)14)10-2-3-12(7)11-6/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid?
2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid has a molecular weight of 223.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 104730083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).