4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine

C8H9ClN4O2S — CID 58398911

IUPAC4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine
SMILESCCn1ncc2c(Cl)nc(S(C)(=O)=O)nc21
InChIInChI=1S/C8H9ClN4O2S/c1-3-13-7-5(4-10-13)6(9)11-8(12-7)16(2,14)15/h4H,3H2,1-2H3
InChIKeyQDVRTRJAFZNMPK-UHFFFAOYSA-N
MW260.71 g/mol
LogP0.90
Rot. Bonds2

About 4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine

4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine (PubChem CID 58398911) has the molecular formula C8H9ClN4O2S and a molecular weight of 260.71 g/mol. Its IUPAC name is 4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine
PubChem CID58398911
Molecular FormulaC8H9ClN4O2S
Molecular Weight260.71 g/mol
Exact Mass260.01
IUPAC Name4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine
SMILESCCn1ncc2c(Cl)nc(S(C)(=O)=O)nc21
InChIInChI=1S/C8H9ClN4O2S/c1-3-13-7-5(4-10-13)6(9)11-8(12-7)16(2,14)15/h4H,3H2,1-2H3
InChIKeyQDVRTRJAFZNMPK-UHFFFAOYSA-N
XLogP0.90
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine (CID 58398911) is 4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine is CCn1ncc2c(Cl)nc(S(C)(=O)=O)nc21.
What is the InChIKey of 4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine?
The InChIKey is QDVRTRJAFZNMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2S/c1-3-13-7-5(4-10-13)6(9)11-8(12-7)16(2,14)15/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine?
4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine has a molecular weight of 260.71 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-6-methylsulfonylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 58398911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).