4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine

C18H14FN5 — CID 67107247

IUPAC4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2nn(Cc3ncc[nH]3)cc2-c2ccncc2)cc1
InChIInChI=1S/C18H14FN5/c19-15-3-1-14(2-4-15)18-16(13-5-7-20-8-6-13)11-24(23-18)12-17-21-9-10-22-17/h1-11H,12H2,(H,21,22)
InChIKeyIYPGOAQWUKCXSC-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.52
Rot. Bonds4

About 4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine

4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine (PubChem CID 67107247) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine
PubChem CID67107247
Molecular FormulaC18H14FN5
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC Name4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2nn(Cc3ncc[nH]3)cc2-c2ccncc2)cc1
InChIInChI=1S/C18H14FN5/c19-15-3-1-14(2-4-15)18-16(13-5-7-20-8-6-13)11-24(23-18)12-17-21-9-10-22-17/h1-11H,12H2,(H,21,22)
InChIKeyIYPGOAQWUKCXSC-UHFFFAOYSA-N
XLogP3.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine (CID 67107247) is 4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine is Fc1ccc(-c2nn(Cc3ncc[nH]3)cc2-c2ccncc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine?
The InChIKey is IYPGOAQWUKCXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c19-15-3-1-14(2-4-15)18-16(13-5-7-20-8-6-13)11-24(23-18)12-17-21-9-10-22-17/h1-11H,12H2,(H,21,22).
What are the key properties of 4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine?
4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine has a molecular weight of 319.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 67107247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).