1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine

C15H15N5 — CID 661192

IUPAC1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1
InChIInChI=1S/C15H15N5/c1-2-6-12(7-3-1)20-15-13(10-18-20)14(16-11-17-15)19-8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeyWEJJRNICTUHRID-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.42
Rot. Bonds2

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

1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 661192) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID661192
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1
InChIInChI=1S/C15H15N5/c1-2-6-12(7-3-1)20-15-13(10-18-20)14(16-11-17-15)19-8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeyWEJJRNICTUHRID-UHFFFAOYSA-N
XLogP2.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (CID 661192) is 1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is c1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1.
What is the InChIKey of 1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is WEJJRNICTUHRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-6-12(7-3-1)20-15-13(10-18-20)14(16-11-17-15)19-8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2.
What are the key properties of 1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 265.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 661192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).