1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one

C14H14N4O — CID 135626444

IUPAC1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1ccc(-c2nc3c(C)nn(C)c3c(=O)[nH]2)cc1
InChIInChI=1S/C14H14N4O/c1-8-4-6-10(7-5-8)13-15-11-9(2)17-18(3)12(11)14(19)16-13/h4-7H,1-3H3,(H,15,16,19)
InChIKeyQZRCXHGSQUSAJT-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.94
Rot. Bonds1

About 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one

1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135626444) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135626444
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1ccc(-c2nc3c(C)nn(C)c3c(=O)[nH]2)cc1
InChIInChI=1S/C14H14N4O/c1-8-4-6-10(7-5-8)13-15-11-9(2)17-18(3)12(11)14(19)16-13/h4-7H,1-3H3,(H,15,16,19)
InChIKeyQZRCXHGSQUSAJT-UHFFFAOYSA-N
XLogP1.94
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135626444) is 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cc1ccc(-c2nc3c(C)nn(C)c3c(=O)[nH]2)cc1.
What is the InChIKey of 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is QZRCXHGSQUSAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-4-6-10(7-5-8)13-15-11-9(2)17-18(3)12(11)14(19)16-13/h4-7H,1-3H3,(H,15,16,19).
What are the key properties of 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 254.29 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135626444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).