5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

C16H16N4 — CID 154842512

IUPAC5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc(N3CCCC3)n3nccc3n2)cc1
InChIInChI=1S/C16H16N4/c1-2-6-13(7-3-1)14-12-16(19-10-4-5-11-19)20-15(18-14)8-9-17-20/h1-3,6-9,12H,4-5,10-11H2
InChIKeyISGXAYBQDJZJBT-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.00
Rot. Bonds2

About 5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 154842512) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID154842512
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc(N3CCCC3)n3nccc3n2)cc1
InChIInChI=1S/C16H16N4/c1-2-6-13(7-3-1)14-12-16(19-10-4-5-11-19)20-15(18-14)8-9-17-20/h1-3,6-9,12H,4-5,10-11H2
InChIKeyISGXAYBQDJZJBT-UHFFFAOYSA-N
XLogP3.00
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 154842512) is 5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is c1ccc(-c2cc(N3CCCC3)n3nccc3n2)cc1.
What is the InChIKey of 5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ISGXAYBQDJZJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-6-13(7-3-1)14-12-16(19-10-4-5-11-19)20-15(18-14)8-9-17-20/h1-3,6-9,12H,4-5,10-11H2.
What are the key properties of 5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 264.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 154842512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).