2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine

C13H15N3 — CID 146591390

IUPAC2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine
SMILESC=CC(CC)n1nccc1-c1ccccn1
InChIInChI=1S/C13H15N3/c1-3-11(4-2)16-13(8-10-15-16)12-7-5-6-9-14-12/h3,5-11H,1,4H2,2H3
InChIKeyYTNCJBMSBMGFRC-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.08
Rot. Bonds4

About 2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine

2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine (PubChem CID 146591390) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine
PubChem CID146591390
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine
SMILESC=CC(CC)n1nccc1-c1ccccn1
InChIInChI=1S/C13H15N3/c1-3-11(4-2)16-13(8-10-15-16)12-7-5-6-9-14-12/h3,5-11H,1,4H2,2H3
InChIKeyYTNCJBMSBMGFRC-UHFFFAOYSA-N
XLogP3.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 158168510
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CID 166108646
2-[2-(4-chlorophenyl)pyrazol-3-yl]pyridine
CID 56956135
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 12766261
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine?
The IUPAC name of 2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine (CID 146591390) is 2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine.
What is the SMILES notation for 2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine?
The canonical SMILES for 2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine is C=CC(CC)n1nccc1-c1ccccn1.
What is the InChIKey of 2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine?
The InChIKey is YTNCJBMSBMGFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-3-11(4-2)16-13(8-10-15-16)12-7-5-6-9-14-12/h3,5-11H,1,4H2,2H3.
What are the key properties of 2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine?
2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine has a molecular weight of 213.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pent-1-en-3-ylpyrazol-3-yl)pyridine is sourced from PubChem (CID 146591390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).