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

C16H12ClN3 — CID 56929892

IUPAC2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine
SMILESClc1ccc(/C=C/c2ccn(-c3ccccn3)n2)cc1
InChIInChI=1S/C16H12ClN3/c17-14-7-4-13(5-8-14)6-9-15-10-12-20(19-15)16-3-1-2-11-18-16/h1-12H/b9-6+
InChIKeyQBZJIYKDCGMKHL-RMKNXTFCSA-N
MW281.75 g/mol
LogP4.09
Rot. Bonds3

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

2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine (PubChem CID 56929892) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine
PubChem CID56929892
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine
SMILESClc1ccc(/C=C/c2ccn(-c3ccccn3)n2)cc1
InChIInChI=1S/C16H12ClN3/c17-14-7-4-13(5-8-14)6-9-15-10-12-20(19-15)16-3-1-2-11-18-16/h1-12H/b9-6+
InChIKeyQBZJIYKDCGMKHL-RMKNXTFCSA-N
XLogP4.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-nitrosopyrazol-1-yl)pyridine
CID 151027458
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone
CID 42633897
ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene
CID 145347439
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 162670765
N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine
CID 2726821
2-[2-(4-phenylphenyl)ethenyl]pyridine
CID 66775790
4-(2-pyridin-2-ylethenyl)phenol
CID 4736878
2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine
CID 25253103
2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine
CID 57213945
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine?
The IUPAC name of 2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine (CID 56929892) is 2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine is Clc1ccc(/C=C/c2ccn(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine?
The InChIKey is QBZJIYKDCGMKHL-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-14-7-4-13(5-8-14)6-9-15-10-12-20(19-15)16-3-1-2-11-18-16/h1-12H/b9-6+.
What are the key properties of 2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine?
2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine has a molecular weight of 281.75 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine is sourced from PubChem (CID 56929892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).