5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one

C14H14N4O2 — CID 135911558

IUPAC5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCc1nc2cn(-c3ccc(OC)cc3)nc2c(=O)[nH]1
InChIInChI=1S/C14H14N4O2/c1-3-12-15-11-8-18(17-13(11)14(19)16-12)9-4-6-10(20-2)7-5-9/h4-8H,3H2,1-2H3,(H,15,16,19)
InChIKeyCRUKQOMSGCWEGE-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.68
Rot. Bonds3

About 5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135911558) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135911558
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCc1nc2cn(-c3ccc(OC)cc3)nc2c(=O)[nH]1
InChIInChI=1S/C14H14N4O2/c1-3-12-15-11-8-18(17-13(11)14(19)16-12)9-4-6-10(20-2)7-5-9/h4-8H,3H2,1-2H3,(H,15,16,19)
InChIKeyCRUKQOMSGCWEGE-UHFFFAOYSA-N
XLogP1.68
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135911558) is 5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCc1nc2cn(-c3ccc(OC)cc3)nc2c(=O)[nH]1.
What is the InChIKey of 5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is CRUKQOMSGCWEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-12-15-11-8-18(17-13(11)14(19)16-12)9-4-6-10(20-2)7-5-9/h4-8H,3H2,1-2H3,(H,15,16,19).
What are the key properties of 5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 270.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135911558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).