4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine

C23H20FN3 — CID 24821653

IUPAC4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2n[nH]c(CCCc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H20FN3/c24-20-11-9-19(10-12-20)23-22(18-13-15-25-16-14-18)21(26-27-23)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16H,4,7-8H2,(H,26,27)
InChIKeyURLCGFFCZPXFKD-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.45
Rot. Bonds6

About 4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine

4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine (PubChem CID 24821653) has the molecular formula C23H20FN3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
PubChem CID24821653
Molecular FormulaC23H20FN3
Molecular Weight357.43 g/mol
Exact Mass357.16
IUPAC Name4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2n[nH]c(CCCc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H20FN3/c24-20-11-9-19(10-12-20)23-22(18-13-15-25-16-14-18)21(26-27-23)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16H,4,7-8H2,(H,26,27)
InChIKeyURLCGFFCZPXFKD-UHFFFAOYSA-N
XLogP5.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine (CID 24821653) is 4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine is Fc1ccc(-c2n[nH]c(CCCc3ccccc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is URLCGFFCZPXFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3/c24-20-11-9-19(10-12-20)23-22(18-13-15-25-16-14-18)21(26-27-23)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16H,4,7-8H2,(H,26,27).
What are the key properties of 4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine?
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 357.43 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 24821653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).