3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C16H14N4 — CID 5329473

IUPAC3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESC1=C(c2cnn3cc(-c4ccncc4)cnc23)CCC1
InChIInChI=1S/C16H14N4/c1-2-4-13(3-1)15-10-19-20-11-14(9-18-16(15)20)12-5-7-17-8-6-12/h3,5-11H,1-2,4H2
InChIKeyCRDDRQWHQLBWAN-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.36
Rot. Bonds2

About 3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 5329473) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID5329473
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESC1=C(c2cnn3cc(-c4ccncc4)cnc23)CCC1
InChIInChI=1S/C16H14N4/c1-2-4-13(3-1)15-10-19-20-11-14(9-18-16(15)20)12-5-7-17-8-6-12/h3,5-11H,1-2,4H2
InChIKeyCRDDRQWHQLBWAN-UHFFFAOYSA-N
XLogP3.36
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 5329473) is 3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is C1=C(c2cnn3cc(-c4ccncc4)cnc23)CCC1.
What is the InChIKey of 3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CRDDRQWHQLBWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-4-13(3-1)15-10-19-20-11-14(9-18-16(15)20)12-5-7-17-8-6-12/h3,5-11H,1-2,4H2.
What are the key properties of 3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 262.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenten-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5329473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).