4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine

C19H17N3S2 — CID 27373094

IUPAC4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
SMILESCc1ccc(C)c(CSc2nccn3nc(-c4cccs4)cc23)c1
InChIInChI=1S/C19H17N3S2/c1-13-5-6-14(2)15(10-13)12-24-19-17-11-16(18-4-3-9-23-18)21-22(17)8-7-20-19/h3-11H,12H2,1-2H3
InChIKeyFUIYDPNMJPPWQC-UHFFFAOYSA-N
MW351.50 g/mol
LogP5.37
Rot. Bonds4

About 4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine

4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine (PubChem CID 27373094) has the molecular formula C19H17N3S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
PubChem CID27373094
Molecular FormulaC19H17N3S2
Molecular Weight351.50 g/mol
Exact Mass351.09
IUPAC Name4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
SMILESCc1ccc(C)c(CSc2nccn3nc(-c4cccs4)cc23)c1
InChIInChI=1S/C19H17N3S2/c1-13-5-6-14(2)15(10-13)12-24-19-17-11-16(18-4-3-9-23-18)21-22(17)8-7-20-19/h3-11H,12H2,1-2H3
InChIKeyFUIYDPNMJPPWQC-UHFFFAOYSA-N
XLogP5.37
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.50
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine (CID 27373094) is 4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine is Cc1ccc(C)c(CSc2nccn3nc(-c4cccs4)cc23)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine?
The InChIKey is FUIYDPNMJPPWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S2/c1-13-5-6-14(2)15(10-13)12-24-19-17-11-16(18-4-3-9-23-18)21-22(17)8-7-20-19/h3-11H,12H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine?
4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine has a molecular weight of 351.50 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 27373094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).