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

C17H16N4 — CID 5329474

IUPAC3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESC1=C(c2cnn3cc(-c4ccncc4)cnc23)CCCC1
InChIInChI=1S/C17H16N4/c1-2-4-14(5-3-1)16-11-20-21-12-15(10-19-17(16)21)13-6-8-18-9-7-13/h4,6-12H,1-3,5H2
InChIKeyMNVWCEBTSFBQAO-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.75
Rot. Bonds2

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

3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 5329474) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID5329474
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESC1=C(c2cnn3cc(-c4ccncc4)cnc23)CCCC1
InChIInChI=1S/C17H16N4/c1-2-4-14(5-3-1)16-11-20-21-12-15(10-19-17(16)21)13-6-8-18-9-7-13/h4,6-12H,1-3,5H2
InChIKeyMNVWCEBTSFBQAO-UHFFFAOYSA-N
XLogP3.75
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 5329474) is 3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is C1=C(c2cnn3cc(-c4ccncc4)cnc23)CCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MNVWCEBTSFBQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-4-14(5-3-1)16-11-20-21-12-15(10-19-17(16)21)13-6-8-18-9-7-13/h4,6-12H,1-3,5H2.
What are the key properties of 3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 276.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5329474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).