2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid

C10H11N3O2S — CID 104730106

IUPAC2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
SMILESCC(CSc1nccn2nccc12)C(=O)O
InChIInChI=1S/C10H11N3O2S/c1-7(10(14)15)6-16-9-8-2-3-12-13(8)5-4-11-9/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeySZNXVZGUFTWHNO-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.54
Rot. Bonds4

About 2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid

2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid (PubChem CID 104730106) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
PubChem CID104730106
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
SMILESCC(CSc1nccn2nccc12)C(=O)O
InChIInChI=1S/C10H11N3O2S/c1-7(10(14)15)6-16-9-8-2-3-12-13(8)5-4-11-9/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeySZNXVZGUFTWHNO-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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 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
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutanoic acid
CID 105354935
3-Methyl-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutanoic acid
CID 105355224
3-Pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
CID 104730073
3-(2-Methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid
CID 104730074
3-(2-Tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid
CID 104730075

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid?
The IUPAC name of 2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid (CID 104730106) is 2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid?
The canonical SMILES for 2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid is CC(CSc1nccn2nccc12)C(=O)O.
What is the InChIKey of 2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid?
The InChIKey is SZNXVZGUFTWHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7(10(14)15)6-16-9-8-2-3-12-13(8)5-4-11-9/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid?
2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid has a molecular weight of 237.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid is sourced from PubChem (CID 104730106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).