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

C13H13N5 — CID 118708215

IUPAC5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCCc1nc(N)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C13H13N5/c1-2-11-15-10-8-18(9-6-4-3-5-7-9)17-12(10)13(14)16-11/h3-8H,2H2,1H3,(H2,14,15,16)
InChIKeyCOXPMWASVSNHJG-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.96
Rot. Bonds2

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

5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708215) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708215
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCCc1nc(N)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C13H13N5/c1-2-11-15-10-8-18(9-6-4-3-5-7-9)17-12(10)13(14)16-11/h3-8H,2H2,1H3,(H2,14,15,16)
InChIKeyCOXPMWASVSNHJG-UHFFFAOYSA-N
XLogP1.96
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708215) is 5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is CCc1nc(N)c2nn(-c3ccccc3)cc2n1.
What is the InChIKey of 5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is COXPMWASVSNHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-11-15-10-8-18(9-6-4-3-5-7-9)17-12(10)13(14)16-11/h3-8H,2H2,1H3,(H2,14,15,16).
What are the key properties of 5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 239.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).