4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine

C15H12FN3 — CID 22037373

IUPAC4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H12FN3/c1-19-10-14(11-6-8-17-9-7-11)15(18-19)12-2-4-13(16)5-3-12/h2-10H,1H3
InChIKeyDSFLBGZXRVTGEA-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.29
Rot. Bonds2

About 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine (PubChem CID 22037373) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine
PubChem CID22037373
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H12FN3/c1-19-10-14(11-6-8-17-9-7-11)15(18-19)12-2-4-13(16)5-3-12/h2-10H,1H3
InChIKeyDSFLBGZXRVTGEA-UHFFFAOYSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine (CID 22037373) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine is Cn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine?
The InChIKey is DSFLBGZXRVTGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c1-19-10-14(11-6-8-17-9-7-11)15(18-19)12-2-4-13(16)5-3-12/h2-10H,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine?
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine has a molecular weight of 253.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine is sourced from PubChem (CID 22037373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).