1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H20N4O2 — CID 135419216

IUPAC1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1
InChIInChI=1S/C17H20N4O2/c1-4-10-23-13-9-7-6-8-12(13)15-18-16-14(17(22)19-15)11(3)20-21(16)5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19,22)
InChIKeyXFZDJYGPYBLGNO-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.90
Rot. Bonds5

About 1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135419216) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135419216
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1
InChIInChI=1S/C17H20N4O2/c1-4-10-23-13-9-7-6-8-12(13)15-18-16-14(17(22)19-15)11(3)20-21(16)5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19,22)
InChIKeyXFZDJYGPYBLGNO-UHFFFAOYSA-N
XLogP2.90
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gendenafil
CID 135559102
5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CID 135401477
1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-3-(4-fluoro-phenyl)-urea
CID 135423938
3-Methyl-6-(2-propoxy-phenyl)-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135503803
1-Ethyl-3-methyl-6-(5-nitro-2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135513951
[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-thiourea
CID 135513970
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-acetamide
CID 135536802
1,3-Dimethyl-6-(5-nitro-2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135536783
6-(2-Ethoxy-phenyl)-3-methyl-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 136132276
Ethyl 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 3245427
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-4-fluoro-benzamide
CID 135406502
6-(5-Dimethylamino-2-propoxy-phenyl)-1,3-dimethyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135419269

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135419216) is 1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCOc1ccccc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1.
What is the InChIKey of 1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XFZDJYGPYBLGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-10-23-13-9-7-6-8-12(13)15-18-16-14(17(22)19-15)11(3)20-21(16)5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19,22).
What are the key properties of 1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 312.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135419216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).