4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine

C16H10FN3 — CID 130205701

IUPAC4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine
SMILESFc1ccc(-n2ccc(C#Cc3ccncc3)n2)cc1
InChIInChI=1S/C16H10FN3/c17-14-2-5-16(6-3-14)20-12-9-15(19-20)4-1-13-7-10-18-11-8-13/h2-3,5-12H
InChIKeyAXLOZCLBORTXJG-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.81
Rot. Bonds1

About 4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine

4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine (PubChem CID 130205701) has the molecular formula C16H10FN3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine.

Molecular Properties

Compound Name4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine
PubChem CID130205701
Molecular FormulaC16H10FN3
Molecular Weight263.27 g/mol
Exact Mass263.09
IUPAC Name4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine
SMILESFc1ccc(-n2ccc(C#Cc3ccncc3)n2)cc1
InChIInChI=1S/C16H10FN3/c17-14-2-5-16(6-3-14)20-12-9-15(19-20)4-1-13-7-10-18-11-8-13/h2-3,5-12H
InChIKeyAXLOZCLBORTXJG-UHFFFAOYSA-N
XLogP2.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine
CID 130205699
2-[1-(4-fluorophenyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 167765600
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
2-chloro-4-ethynylpyridine;3-[3-[2-(2-chloro-4-pyridinyl)ethynyl]pyrazol-1-yl]-5-fluorobenzonitrile;3-fluoro-5-(3-iodopyrazol-1-yl)benzonitrile
CID 158163331
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid
CID 116818347
1-(4-fluorophenyl)-3-[(3-methylpyrazol-1-yl)methyl]pyrazole
CID 86781012
[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86980678
4-[3-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrazol-4-yl]pyridine
CID 15837968
4-[2-(2,3,5,6-tetrafluorophenyl)ethynyl]pyridine
CID 102532070
1-fluoro-4-(2-fluoroethynyl)benzene
CID 69171981
4-(3-ethylpyrazol-1-yl)pyridine
CID 66015534

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine?
The IUPAC name of 4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine (CID 130205701) is 4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine.
What is the SMILES notation for 4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine?
The canonical SMILES for 4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine is Fc1ccc(-n2ccc(C#Cc3ccncc3)n2)cc1.
What is the InChIKey of 4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine?
The InChIKey is AXLOZCLBORTXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3/c17-14-2-5-16(6-3-14)20-12-9-15(19-20)4-1-13-7-10-18-11-8-13/h2-3,5-12H.
What are the key properties of 4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine?
4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine has a molecular weight of 263.27 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyridine is sourced from PubChem (CID 130205701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).