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

C13H17N3O2S — CID 104730075

IUPAC3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid
SMILESCC(C)(C)c1cc2c(SCCC(=O)O)nccn2n1
InChIInChI=1S/C13H17N3O2S/c1-13(2,3)10-8-9-12(19-7-4-11(17)18)14-5-6-16(9)15-10/h5-6,8H,4,7H2,1-3H3,(H,17,18)
InChIKeyYSUPMTBNLCPUFT-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.59
Rot. Bonds4

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

3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid (PubChem CID 104730075) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid
PubChem CID104730075
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid
SMILESCC(C)(C)c1cc2c(SCCC(=O)O)nccn2n1
InChIInChI=1S/C13H17N3O2S/c1-13(2,3)10-8-9-12(19-7-4-11(17)18)14-5-6-16(9)15-10/h5-6,8H,4,7H2,1-3H3,(H,17,18)
InChIKeyYSUPMTBNLCPUFT-UHFFFAOYSA-N
XLogP2.59
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic 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 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
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol
CID 104732234
2-Methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol
CID 104732238
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol
CID 104732243
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol
CID 104732248

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid?
The IUPAC name of 3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid (CID 104730075) is 3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid.
What is the SMILES notation for 3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid?
The canonical SMILES for 3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid is CC(C)(C)c1cc2c(SCCC(=O)O)nccn2n1.
What is the InChIKey of 3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid?
The InChIKey is YSUPMTBNLCPUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-13(2,3)10-8-9-12(19-7-4-11(17)18)14-5-6-16(9)15-10/h5-6,8H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid?
3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid has a molecular weight of 279.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid is sourced from PubChem (CID 104730075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).