4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine

C13H11FN4S — CID 7199711

IUPAC4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
SMILESCCSc1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C13H11FN4S/c1-2-19-13-11-7-17-18(12(11)15-8-16-13)10-5-3-9(14)4-6-10/h3-8H,2H2,1H3
InChIKeyKNQMJWWHZAYPSD-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.07
Rot. Bonds3

About 4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine

4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 7199711) has the molecular formula C13H11FN4S and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID7199711
Molecular FormulaC13H11FN4S
Molecular Weight274.32 g/mol
Exact Mass274.07
IUPAC Name4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
SMILESCCSc1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C13H11FN4S/c1-2-19-13-11-7-17-18(12(11)15-8-16-13)10-5-3-9(14)4-6-10/h3-8H,2H2,1H3
InChIKeyKNQMJWWHZAYPSD-UHFFFAOYSA-N
XLogP3.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine (CID 7199711) is 4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine is CCSc1ncnc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is KNQMJWWHZAYPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4S/c1-2-19-13-11-7-17-18(12(11)15-8-16-13)10-5-3-9(14)4-6-10/h3-8H,2H2,1H3.
What are the key properties of 4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine?
4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 274.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 7199711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).