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

C17H11ClFN3S2 — CID 27373095

IUPAC4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
SMILESFc1ccc(CSc2nccn3nc(-c4cccs4)cc23)c(Cl)c1
InChIInChI=1S/C17H11ClFN3S2/c18-13-8-12(19)4-3-11(13)10-24-17-15-9-14(16-2-1-7-23-16)21-22(15)6-5-20-17/h1-9H,10H2
InChIKeyQZCPQKUXXWHIBL-UHFFFAOYSA-N
MW375.88 g/mol
LogP5.54
Rot. Bonds4

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

4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine (PubChem CID 27373095) has the molecular formula C17H11ClFN3S2 and a molecular weight of 375.88 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
PubChem CID27373095
Molecular FormulaC17H11ClFN3S2
Molecular Weight375.88 g/mol
Exact Mass375.01
IUPAC Name4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
SMILESFc1ccc(CSc2nccn3nc(-c4cccs4)cc23)c(Cl)c1
InChIInChI=1S/C17H11ClFN3S2/c18-13-8-12(19)4-3-11(13)10-24-17-15-9-14(16-2-1-7-23-16)21-22(15)6-5-20-17/h1-9H,10H2
InChIKeyQZCPQKUXXWHIBL-UHFFFAOYSA-N
XLogP5.54
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.88
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine (CID 27373095) is 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine is Fc1ccc(CSc2nccn3nc(-c4cccs4)cc23)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine?
The InChIKey is QZCPQKUXXWHIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3S2/c18-13-8-12(19)4-3-11(13)10-24-17-15-9-14(16-2-1-7-23-16)21-22(15)6-5-20-17/h1-9H,10H2.
What are the key properties of 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine?
4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine has a molecular weight of 375.88 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 27373095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).