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

C17H19N5O2 — CID 1433582

IUPAC2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(=O)N(C)C)cnc32)cc1C
InChIInChI=1S/C17H19N5O2/c1-11-5-6-13(7-12(11)2)22-16-14(8-19-22)17(24)21(10-18-16)9-15(23)20(3)4/h5-8,10H,9H2,1-4H3
InChIKeyWHDCLYCWVCAFJR-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.29
Rot. Bonds3

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

2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide (PubChem CID 1433582) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide
PubChem CID1433582
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(=O)N(C)C)cnc32)cc1C
InChIInChI=1S/C17H19N5O2/c1-11-5-6-13(7-12(11)2)22-16-14(8-19-22)17(24)21(10-18-16)9-15(23)20(3)4/h5-8,10H,9H2,1-4H3
InChIKeyWHDCLYCWVCAFJR-UHFFFAOYSA-N
XLogP1.29
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
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]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide (CID 1433582) is 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide is Cc1ccc(-n2ncc3c(=O)n(CC(=O)N(C)C)cnc32)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide?
The InChIKey is WHDCLYCWVCAFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-5-6-13(7-12(11)2)22-16-14(8-19-22)17(24)21(10-18-16)9-15(23)20(3)4/h5-8,10H,9H2,1-4H3.
What are the key properties of 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide?
2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide has a molecular weight of 325.37 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 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]-N,N-dimethylacetamide is sourced from PubChem (CID 1433582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).