5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

C20H19N5O — CID 118708232

IUPAC5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccc(CCc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C20H19N5O/c1-26-16-10-7-14(8-11-16)9-12-18-22-17-13-25(15-5-3-2-4-6-15)24-19(17)20(21)23-18/h2-8,10-11,13H,9,12H2,1H3,(H2,21,22,23)
InChIKeyCOFHYHXQIXJVNT-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.19
Rot. Bonds5

About 5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708232) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708232
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccc(CCc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C20H19N5O/c1-26-16-10-7-14(8-11-16)9-12-18-22-17-13-25(15-5-3-2-4-6-15)24-19(17)20(21)23-18/h2-8,10-11,13H,9,12H2,1H3,(H2,21,22,23)
InChIKeyCOFHYHXQIXJVNT-UHFFFAOYSA-N
XLogP3.19
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708232) is 5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is COc1ccc(CCc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is COFHYHXQIXJVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-16-10-7-14(8-11-16)9-12-18-22-17-13-25(15-5-3-2-4-6-15)24-19(17)20(21)23-18/h2-8,10-11,13H,9,12H2,1H3,(H2,21,22,23).
What are the key properties of 5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 345.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).