4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine

C19H16N4S — CID 3844442

IUPAC4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C19H16N4S/c1-14-7-9-15(10-8-14)12-24-19-17-11-22-23(18(17)20-13-21-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3
InChIKeyZLAHLFIHZYAMSW-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.42
Rot. Bonds4

About 4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine

4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 3844442) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID3844442
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C19H16N4S/c1-14-7-9-15(10-8-14)12-24-19-17-11-22-23(18(17)20-13-21-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3
InChIKeyZLAHLFIHZYAMSW-UHFFFAOYSA-N
XLogP4.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine (CID 3844442) is 4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine is Cc1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is ZLAHLFIHZYAMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-14-7-9-15(10-8-14)12-24-19-17-11-22-23(18(17)20-13-21-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine?
4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 332.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3844442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).