2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide

C15H15N5O2 — CID 1088467

IUPAC2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(N)=O)cnc32)cc1C
InChIInChI=1S/C15H15N5O2/c1-9-3-4-11(5-10(9)2)20-14-12(6-18-20)15(22)19(8-17-14)7-13(16)21/h3-6,8H,7H2,1-2H3,(H2,16,21)
InChIKeyLRCHPTXJOIROHM-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.68
Rot. Bonds3

About 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide

2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide (PubChem CID 1088467) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
PubChem CID1088467
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(N)=O)cnc32)cc1C
InChIInChI=1S/C15H15N5O2/c1-9-3-4-11(5-10(9)2)20-14-12(6-18-20)15(22)19(8-17-14)7-13(16)21/h3-6,8H,7H2,1-2H3,(H2,16,21)
InChIKeyLRCHPTXJOIROHM-UHFFFAOYSA-N
XLogP0.68
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide (CID 1088467) is 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide is Cc1ccc(-n2ncc3c(=O)n(CC(N)=O)cnc32)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The InChIKey is LRCHPTXJOIROHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-3-4-11(5-10(9)2)20-14-12(6-18-20)15(22)19(8-17-14)7-13(16)21/h3-6,8H,7H2,1-2H3,(H2,16,21).
What are the key properties of 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide has a molecular weight of 297.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 1088467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).