1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine

C17H21N5 — CID 56730297

IUPAC1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(Nc1ncnc2c(C)nn(CC)c12)c1ccccc1
InChIInChI=1S/C17H21N5/c1-4-14(13-9-7-6-8-10-13)20-17-16-15(18-11-19-17)12(3)21-22(16)5-2/h6-11,14H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyISYNJKCRXMGMBK-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.72
Rot. Bonds5

About 1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine

1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 56730297) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID56730297
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(Nc1ncnc2c(C)nn(CC)c12)c1ccccc1
InChIInChI=1S/C17H21N5/c1-4-14(13-9-7-6-8-10-13)20-17-16-15(18-11-19-17)12(3)21-22(16)5-2/h6-11,14H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyISYNJKCRXMGMBK-UHFFFAOYSA-N
XLogP3.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 56730297) is 1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine is CCC(Nc1ncnc2c(C)nn(CC)c12)c1ccccc1.
What is the InChIKey of 1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ISYNJKCRXMGMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-4-14(13-9-7-6-8-10-13)20-17-16-15(18-11-19-17)12(3)21-22(16)5-2/h6-11,14H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 295.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 56730297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).