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

C17H20N4O2 — CID 136618124

IUPAC5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cccc(OCC)c3)nc12
InChIInChI=1S/C17H20N4O2/c1-4-7-13-14-15(21(3)20-13)17(22)19-16(18-14)11-8-6-9-12(10-11)23-5-2/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,22)
InChIKeyZTQLZDDVZBAUBM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.67
Rot. Bonds5

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

5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 136618124) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID136618124
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cccc(OCC)c3)nc12
InChIInChI=1S/C17H20N4O2/c1-4-7-13-14-15(21(3)20-13)17(22)19-16(18-14)11-8-6-9-12(10-11)23-5-2/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,22)
InChIKeyZTQLZDDVZBAUBM-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 136618124) is 5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(-c3cccc(OCC)c3)nc12.
What is the InChIKey of 5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is ZTQLZDDVZBAUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-7-13-14-15(21(3)20-13)17(22)19-16(18-14)11-8-6-9-12(10-11)23-5-2/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,22).
What are the key properties of 5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 312.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 136618124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).