2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine

C17H19N3S — CID 50772101

IUPAC2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine
SMILESCc1ccc(-c2cc3c(SC(C)C)nccn3n2)cc1C
InChIInChI=1S/C17H19N3S/c1-11(2)21-17-16-10-15(19-20(16)8-7-18-17)14-6-5-12(3)13(4)9-14/h5-11H,1-4H3
InChIKeySOEBUBSBRBMWFC-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.51
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine

2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine (PubChem CID 50772101) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine
PubChem CID50772101
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine
SMILESCc1ccc(-c2cc3c(SC(C)C)nccn3n2)cc1C
InChIInChI=1S/C17H19N3S/c1-11(2)21-17-16-10-15(19-20(16)8-7-18-17)14-6-5-12(3)13(4)9-14/h5-11H,1-4H3
InChIKeySOEBUBSBRBMWFC-UHFFFAOYSA-N
XLogP4.51
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine (CID 50772101) is 2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine is Cc1ccc(-c2cc3c(SC(C)C)nccn3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine?
The InChIKey is SOEBUBSBRBMWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-11(2)21-17-16-10-15(19-20(16)8-7-18-17)14-6-5-12(3)13(4)9-14/h5-11H,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine?
2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine has a molecular weight of 297.43 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 50772101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).