3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine

C10H9N3 — CID 141207818

IUPAC3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine
SMILESC(=Cc1cn[nH]c1)c1cccnc1
InChIInChI=1S/C10H9N3/c1-2-9(6-11-5-1)3-4-10-7-12-13-8-10/h1-8H,(H,12,13)
InChIKeyFDIQXVMBOPAMPK-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.98
Rot. Bonds2

About 3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine

3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine (PubChem CID 141207818) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine.

Molecular Properties

Compound Name3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine
PubChem CID141207818
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine
SMILESC(=Cc1cn[nH]c1)c1cccnc1
InChIInChI=1S/C10H9N3/c1-2-9(6-11-5-1)3-4-10-7-12-13-8-10/h1-8H,(H,12,13)
InChIKeyFDIQXVMBOPAMPK-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine?
The IUPAC name of 3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine (CID 141207818) is 3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine.
What is the SMILES notation for 3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine?
The canonical SMILES for 3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine is C(=Cc1cn[nH]c1)c1cccnc1.
What is the InChIKey of 3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine?
The InChIKey is FDIQXVMBOPAMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-9(6-11-5-1)3-4-10-7-12-13-8-10/h1-8H,(H,12,13).
What are the key properties of 3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine?
3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine has a molecular weight of 171.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine is sourced from PubChem (CID 141207818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).