1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one

C12H10N4O — CID 39860221

IUPAC1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one
SMILESCc1ccc(-n2ncc3[nH]c(=O)ncc32)cc1
InChIInChI=1S/C12H10N4O/c1-8-2-4-9(5-3-8)16-11-7-13-12(17)15-10(11)6-14-16/h2-7H,1H3,(H,13,15,17)
InChIKeyPWTCPJBYAYLPNK-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.42
Rot. Bonds1

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

1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one (PubChem CID 39860221) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one
PubChem CID39860221
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one
SMILESCc1ccc(-n2ncc3[nH]c(=O)ncc32)cc1
InChIInChI=1S/C12H10N4O/c1-8-2-4-9(5-3-8)16-11-7-13-12(17)15-10(11)6-14-16/h2-7H,1H3,(H,13,15,17)
InChIKeyPWTCPJBYAYLPNK-UHFFFAOYSA-N
XLogP1.42
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one?
The IUPAC name of 1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one (CID 39860221) is 1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one?
The canonical SMILES for 1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one is Cc1ccc(-n2ncc3[nH]c(=O)ncc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one?
The InChIKey is PWTCPJBYAYLPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-2-4-9(5-3-8)16-11-7-13-12(17)15-10(11)6-14-16/h2-7H,1H3,(H,13,15,17).
What are the key properties of 1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one?
1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one has a molecular weight of 226.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4H-pyrazolo[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 39860221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).