5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C15H16N4O2 — CID 135546517

IUPAC5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3O)nc12
InChIInChI=1S/C15H16N4O2/c1-3-6-10-12-13(19(2)18-10)15(21)17-14(16-12)9-7-4-5-8-11(9)20/h4-5,7-8,20H,3,6H2,1-2H3,(H,16,17,21)
InChIKeyLWPFLYVDEFNFBW-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.98
Rot. Bonds3

About 5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135546517) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135546517
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3O)nc12
InChIInChI=1S/C15H16N4O2/c1-3-6-10-12-13(19(2)18-10)15(21)17-14(16-12)9-7-4-5-8-11(9)20/h4-5,7-8,20H,3,6H2,1-2H3,(H,16,17,21)
InChIKeyLWPFLYVDEFNFBW-UHFFFAOYSA-N
XLogP1.98
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135546517) is 5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3O)nc12.
What is the InChIKey of 5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is LWPFLYVDEFNFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-6-10-12-13(19(2)18-10)15(21)17-14(16-12)9-7-4-5-8-11(9)20/h4-5,7-8,20H,3,6H2,1-2H3,(H,16,17,21).
What are the key properties of 5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 284.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135546517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).