5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C14H14N4O2 — CID 135626423

IUPAC5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1cccc(-c2nc3c(C)nn(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C14H14N4O2/c1-8-11-12(18(2)17-8)14(19)16-13(15-11)9-5-4-6-10(7-9)20-3/h4-7H,1-3H3,(H,15,16,19)
InChIKeyPNODNVAYKJMAJQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.64
Rot. Bonds2

About 5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135626423) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135626423
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1cccc(-c2nc3c(C)nn(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C14H14N4O2/c1-8-11-12(18(2)17-8)14(19)16-13(15-11)9-5-4-6-10(7-9)20-3/h4-7H,1-3H3,(H,15,16,19)
InChIKeyPNODNVAYKJMAJQ-UHFFFAOYSA-N
XLogP1.64
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135626423) is 5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is COc1cccc(-c2nc3c(C)nn(C)c3c(=O)[nH]2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is PNODNVAYKJMAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-11-12(18(2)17-8)14(19)16-13(15-11)9-5-4-6-10(7-9)20-3/h4-7H,1-3H3,(H,15,16,19).
What are the key properties of 5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 270.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135626423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).