4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine

C19H14FN3O — CID 174493209

IUPAC4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine
SMILESCc1ccc(-c2c(-c3cccc(F)c3)n[nH]c2-c2ccncc2)o1
InChIInChI=1S/C19H14FN3O/c1-12-5-6-16(24-12)17-18(13-7-9-21-10-8-13)22-23-19(17)14-3-2-4-15(20)11-14/h2-11H,1H3,(H,22,23)
InChIKeyIMJPPBWJTPIOLJ-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.85
Rot. Bonds3

About 4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine

4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine (PubChem CID 174493209) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine
PubChem CID174493209
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine
SMILESCc1ccc(-c2c(-c3cccc(F)c3)n[nH]c2-c2ccncc2)o1
InChIInChI=1S/C19H14FN3O/c1-12-5-6-16(24-12)17-18(13-7-9-21-10-8-13)22-23-19(17)14-3-2-4-15(20)11-14/h2-11H,1H3,(H,22,23)
InChIKeyIMJPPBWJTPIOLJ-UHFFFAOYSA-N
XLogP4.85
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine (CID 174493209) is 4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine is Cc1ccc(-c2c(-c3cccc(F)c3)n[nH]c2-c2ccncc2)o1.
What is the InChIKey of 4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine?
The InChIKey is IMJPPBWJTPIOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-12-5-6-16(24-12)17-18(13-7-9-21-10-8-13)22-23-19(17)14-3-2-4-15(20)11-14/h2-11H,1H3,(H,22,23).
What are the key properties of 4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine?
4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine has a molecular weight of 319.34 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 174493209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).