4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine

C20H14F3N3O — CID 141462155

IUPAC4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
SMILESCc1ccc(-c2cc(-c3ccncc3)nn2-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C20H14F3N3O/c1-13-2-7-19(27-13)18-12-17(14-8-10-24-11-9-14)25-26(18)16-5-3-15(4-6-16)20(21,22)23/h2-12H,1H3
InChIKeyKCNQKAVTFGUJQC-UHFFFAOYSA-N
MW369.35 g/mol
LogP5.52
Rot. Bonds3

About 4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine

4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine (PubChem CID 141462155) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
PubChem CID141462155
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
SMILESCc1ccc(-c2cc(-c3ccncc3)nn2-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C20H14F3N3O/c1-13-2-7-19(27-13)18-12-17(14-8-10-24-11-9-14)25-26(18)16-5-3-15(4-6-16)20(21,22)23/h2-12H,1H3
InChIKeyKCNQKAVTFGUJQC-UHFFFAOYSA-N
XLogP5.52
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.35
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The IUPAC name of 4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine (CID 141462155) is 4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine is Cc1ccc(-c2cc(-c3ccncc3)nn2-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The InChIKey is KCNQKAVTFGUJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c1-13-2-7-19(27-13)18-12-17(14-8-10-24-11-9-14)25-26(18)16-5-3-15(4-6-16)20(21,22)23/h2-12H,1H3.
What are the key properties of 4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine has a molecular weight of 369.35 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methylfuran-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 141462155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).