1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine

C13H11ClN4S — CID 7475893

IUPAC1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine
SMILESCCSc1ncnc2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN4S/c1-2-19-13-11-7-17-18(12(11)15-8-16-13)10-5-3-4-9(14)6-10/h3-8H,2H2,1H3
InChIKeyVYFRJMSECDYIOJ-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.58
Rot. Bonds3

About 1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine

1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine (PubChem CID 7475893) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine
PubChem CID7475893
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine
SMILESCCSc1ncnc2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN4S/c1-2-19-13-11-7-17-18(12(11)15-8-16-13)10-5-3-4-9(14)6-10/h3-8H,2H2,1H3
InChIKeyVYFRJMSECDYIOJ-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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Related Compounds

1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine
CID 7199843
2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 7475896
2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 18561852
1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017215
1-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 17017238
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone
CID 16603796
N-[1-(3-chlorophenyl)ethyl]-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 16603785
N-(4-chloro-2-methylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 3810099
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 3786017
N-(2,5-dichlorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 1140016
1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017293
1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476368

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine (CID 7475893) is 1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine is CCSc1ncnc2c1cnn2-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine?
The InChIKey is VYFRJMSECDYIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c1-2-19-13-11-7-17-18(12(11)15-8-16-13)10-5-3-4-9(14)6-10/h3-8H,2H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine?
1-(3-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-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 7475893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).