1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine

C15H15N5O — CID 62348088

IUPAC1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(OC4CCNC4)ncnc32)cc1
InChIInChI=1S/C15H15N5O/c1-2-4-11(5-3-1)20-14-13(9-19-20)15(18-10-17-14)21-12-6-7-16-8-12/h1-5,9-10,12,16H,6-8H2
InChIKeyDEGGXQSOGQMEPF-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.56
Rot. Bonds3

About 1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine

1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine (PubChem CID 62348088) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
PubChem CID62348088
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(OC4CCNC4)ncnc32)cc1
InChIInChI=1S/C15H15N5O/c1-2-4-11(5-3-1)20-14-13(9-19-20)15(18-10-17-14)21-12-6-7-16-8-12/h1-5,9-10,12,16H,6-8H2
InChIKeyDEGGXQSOGQMEPF-UHFFFAOYSA-N
XLogP1.56
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine (CID 62348088) is 1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine is c1ccc(-n2ncc3c(OC4CCNC4)ncnc32)cc1.
What is the InChIKey of 1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine?
The InChIKey is DEGGXQSOGQMEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-4-11(5-3-1)20-14-13(9-19-20)15(18-10-17-14)21-12-6-7-16-8-12/h1-5,9-10,12,16H,6-8H2.
What are the key properties of 1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine?
1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine has a molecular weight of 281.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 62348088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).