2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine

C17H12FN3 — CID 23068541

IUPAC2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine
SMILESC#CCn1cc(-c2ccccn2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H12FN3/c1-2-11-21-12-15(16-5-3-4-10-19-16)17(20-21)13-6-8-14(18)9-7-13/h1,3-10,12H,11H2
InChIKeyRIYAWWHDWSXYPZ-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.38
Rot. Bonds3

About 2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine

2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine (PubChem CID 23068541) has the molecular formula C17H12FN3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine
PubChem CID23068541
Molecular FormulaC17H12FN3
Molecular Weight277.30 g/mol
Exact Mass277.10
IUPAC Name2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine
SMILESC#CCn1cc(-c2ccccn2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H12FN3/c1-2-11-21-12-15(16-5-3-4-10-19-16)17(20-21)13-6-8-14(18)9-7-13/h1,3-10,12H,11H2
InChIKeyRIYAWWHDWSXYPZ-UHFFFAOYSA-N
XLogP3.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.38
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

6-[3-(4-fluorophenyl)-4-pyridin-2-ylpyrazol-1-yl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
CID 91157821
N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine
CID 70209652
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
3-(4-fluorophenyl)-4-phenyl-5-pyridin-2-ylpyridazine
CID 71084420
2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine
CID 19355915
bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate
CID 175720169
2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile
CID 67106113
3-(4-fluorophenyl)-2-pyridin-2-ylpyrazolo[1,5-a]pyridine
CID 69224780
2-[1-(cyanomethyl)-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 67646066
4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine
CID 67107247
4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine
CID 141095123
2-amino-6-(4-fluorophenyl)-4-pyridin-2-ylpyridine-3-carbonitrile
CID 3358943

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine (CID 23068541) is 2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine is C#CCn1cc(-c2ccccn2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine?
The InChIKey is RIYAWWHDWSXYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3/c1-2-11-21-12-15(16-5-3-4-10-19-16)17(20-21)13-6-8-14(18)9-7-13/h1,3-10,12H,11H2.
What are the key properties of 2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine?
2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine has a molecular weight of 277.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine is sourced from PubChem (CID 23068541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).