5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

C19H16N4O2 — CID 135488823

IUPAC5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCc1ccc(-n2ncc3c(=O)n(-c4cccc(C)c4)c(=O)[nH]c32)cc1
InChIInChI=1S/C19H16N4O2/c1-12-6-8-14(9-7-12)23-17-16(11-20-23)18(24)22(19(25)21-17)15-5-3-4-13(2)10-15/h3-11H,1-2H3,(H,21,25)
InChIKeyBKTBRKSQDGSBFW-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.48
Rot. Bonds2

About 5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 135488823) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID135488823
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCc1ccc(-n2ncc3c(=O)n(-c4cccc(C)c4)c(=O)[nH]c32)cc1
InChIInChI=1S/C19H16N4O2/c1-12-6-8-14(9-7-12)23-17-16(11-20-23)18(24)22(19(25)21-17)15-5-3-4-13(2)10-15/h3-11H,1-2H3,(H,21,25)
InChIKeyBKTBRKSQDGSBFW-UHFFFAOYSA-N
XLogP2.48
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of 5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione (CID 135488823) is 5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione is Cc1ccc(-n2ncc3c(=O)n(-c4cccc(C)c4)c(=O)[nH]c32)cc1.
What is the InChIKey of 5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is BKTBRKSQDGSBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-6-8-14(9-7-12)23-17-16(11-20-23)18(24)22(19(25)21-17)15-5-3-4-13(2)10-15/h3-11H,1-2H3,(H,21,25).
What are the key properties of 5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 332.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 135488823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).