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

C12H10N4O2 — CID 135911556

IUPAC2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCOc1ccc(-n2cc3nc[nH]c(=O)c3n2)cc1
InChIInChI=1S/C12H10N4O2/c1-18-9-4-2-8(3-5-9)16-6-10-11(15-16)12(17)14-7-13-10/h2-7H,1H3,(H,13,14,17)
InChIKeyGRMLZRHWTXSOLS-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.12
Rot. Bonds2

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

2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135911556) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135911556
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCOc1ccc(-n2cc3nc[nH]c(=O)c3n2)cc1
InChIInChI=1S/C12H10N4O2/c1-18-9-4-2-8(3-5-9)16-6-10-11(15-16)12(17)14-7-13-10/h2-7H,1H3,(H,13,14,17)
InChIKeyGRMLZRHWTXSOLS-UHFFFAOYSA-N
XLogP1.12
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135911556) is 2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is COc1ccc(-n2cc3nc[nH]c(=O)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is GRMLZRHWTXSOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-9-4-2-8(3-5-9)16-6-10-11(15-16)12(17)14-7-13-10/h2-7H,1H3,(H,13,14,17).
What are the key properties of 2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 242.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135911556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).