2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine

C19H16FN3 — CID 141317615

IUPAC2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine
SMILESCc1ccc(F)cc1-c1cc(CCC#Cc2ccccn2)[nH]n1
InChIInChI=1S/C19H16FN3/c1-14-9-10-15(20)12-18(14)19-13-17(22-23-19)8-3-2-6-16-7-4-5-11-21-16/h4-5,7,9-13H,3,8H2,1H3,(H,22,23)
InChIKeyIYGXLIZBZCSFCJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.90
Rot. Bonds3

About 2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine

2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine (PubChem CID 141317615) has the molecular formula C19H16FN3 and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine.

Molecular Properties

Compound Name2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine
PubChem CID141317615
Molecular FormulaC19H16FN3
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine
SMILESCc1ccc(F)cc1-c1cc(CCC#Cc2ccccn2)[nH]n1
InChIInChI=1S/C19H16FN3/c1-14-9-10-15(20)12-18(14)19-13-17(22-23-19)8-3-2-6-16-7-4-5-11-21-16/h4-5,7,9-13H,3,8H2,1H3,(H,22,23)
InChIKeyIYGXLIZBZCSFCJ-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine?
The IUPAC name of 2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine (CID 141317615) is 2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine.
What is the SMILES notation for 2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine?
The canonical SMILES for 2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine is Cc1ccc(F)cc1-c1cc(CCC#Cc2ccccn2)[nH]n1.
What is the InChIKey of 2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine?
The InChIKey is IYGXLIZBZCSFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3/c1-14-9-10-15(20)12-18(14)19-13-17(22-23-19)8-3-2-6-16-7-4-5-11-21-16/h4-5,7,9-13H,3,8H2,1H3,(H,22,23).
What are the key properties of 2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine?
2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine has a molecular weight of 305.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]but-1-ynyl]pyridine is sourced from PubChem (CID 141317615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).