1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine

C19H16N4S — CID 3842823

IUPAC1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1
InChIInChI=1S/C19H16N4S/c1-3-7-15(8-4-1)12-23-18-17(11-22-23)19(21-14-20-18)24-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2
InChIKeySVEGGFBAMCRNEL-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.17
Rot. Bonds5

About 1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine

1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine (PubChem CID 3842823) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine
PubChem CID3842823
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1
InChIInChI=1S/C19H16N4S/c1-3-7-15(8-4-1)12-23-18-17(11-22-23)19(21-14-20-18)24-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2
InChIKeySVEGGFBAMCRNEL-UHFFFAOYSA-N
XLogP4.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine (CID 3842823) is 1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine is c1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine?
The InChIKey is SVEGGFBAMCRNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-3-7-15(8-4-1)12-23-18-17(11-22-23)19(21-14-20-18)24-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2.
What are the key properties of 1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine?
1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine has a molecular weight of 332.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-benzylsulfanylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3842823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).