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

C18H12FN3O — CID 174480058

IUPAC4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine
SMILESFc1cccc(-c2n[nH]c(-c3ccncc3)c2-c2ccco2)c1
InChIInChI=1S/C18H12FN3O/c19-14-4-1-3-13(11-14)18-16(15-5-2-10-23-15)17(21-22-18)12-6-8-20-9-7-12/h1-11H,(H,21,22)
InChIKeyQRGADWVOCVSPBX-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.54
Rot. Bonds3

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

4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine (PubChem CID 174480058) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine
PubChem CID174480058
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine
SMILESFc1cccc(-c2n[nH]c(-c3ccncc3)c2-c2ccco2)c1
InChIInChI=1S/C18H12FN3O/c19-14-4-1-3-13(11-14)18-16(15-5-2-10-23-15)17(21-22-18)12-6-8-20-9-7-12/h1-11H,(H,21,22)
InChIKeyQRGADWVOCVSPBX-UHFFFAOYSA-N
XLogP4.54
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.54
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-(furan-2-yl)-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine (CID 174480058) is 4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine is Fc1cccc(-c2n[nH]c(-c3ccncc3)c2-c2ccco2)c1.
What is the InChIKey of 4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine?
The InChIKey is QRGADWVOCVSPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c19-14-4-1-3-13(11-14)18-16(15-5-2-10-23-15)17(21-22-18)12-6-8-20-9-7-12/h1-11H,(H,21,22).
What are the key properties of 4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine?
4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine has a molecular weight of 305.31 g/mol, XLogP of 4.54, 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-(furan-2-yl)-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 174480058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).