1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine

C13H11ClN4S — CID 7199843

IUPAC1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine
SMILESCCSc1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN4S/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
InChIKeyDOLVWBSIHRPHFY-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.58
Rot. Bonds3

About 1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine

1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine (PubChem CID 7199843) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine
PubChem CID7199843
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine
SMILESCCSc1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN4S/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
InChIKeyDOLVWBSIHRPHFY-UHFFFAOYSA-N
XLogP3.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine (CID 7199843) is 1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine is CCSc1ncnc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine?
The InChIKey is DOLVWBSIHRPHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/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 1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine?
1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine has a molecular weight of 290.78 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 7199843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).