6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C19H16N4O — CID 750038

IUPAC6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C19H16N4O/c1-13-8-10-15(11-9-13)22-14(2)21-18-17(19(22)24)12-20-23(18)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyAFQLFYNNEVLGFQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.19
Rot. Bonds2

About 6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 750038) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID750038
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C19H16N4O/c1-13-8-10-15(11-9-13)22-14(2)21-18-17(19(22)24)12-20-23(18)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyAFQLFYNNEVLGFQ-UHFFFAOYSA-N
XLogP3.19
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 750038) is 6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1.
What is the InChIKey of 6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AFQLFYNNEVLGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-8-10-15(11-9-13)22-14(2)21-18-17(19(22)24)12-20-23(18)16-6-4-3-5-7-16/h3-12H,1-2H3.
What are the key properties of 6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 316.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 750038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).