4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C15H12F3N3O — CID 129070278

IUPAC4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCc1cc(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)c(C)o1
InChIInChI=1S/C15H12F3N3O/c1-8-5-11(9(2)22-8)10-3-4-19-12(6-10)13-7-14(21-20-13)15(16,17)18/h3-7H,1-2H3,(H,20,21)
InChIKeyOFIHKDDOUMEPHP-UHFFFAOYSA-N
MW307.28 g/mol
LogP4.37
Rot. Bonds2

About 4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 129070278) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID129070278
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCc1cc(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)c(C)o1
InChIInChI=1S/C15H12F3N3O/c1-8-5-11(9(2)22-8)10-3-4-19-12(6-10)13-7-14(21-20-13)15(16,17)18/h3-7H,1-2H3,(H,20,21)
InChIKeyOFIHKDDOUMEPHP-UHFFFAOYSA-N
XLogP4.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 129070278) is 4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is Cc1cc(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)c(C)o1.
What is the InChIKey of 4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is OFIHKDDOUMEPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-8-5-11(9(2)22-8)10-3-4-19-12(6-10)13-7-14(21-20-13)15(16,17)18/h3-7H,1-2H3,(H,20,21).
What are the key properties of 4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 307.28 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylfuran-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 129070278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).