furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone

C15H9F3N2O2 — CID 11426736

IUPACfuran-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(c1ccco1)n1nc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)13-9-11(10-5-2-1-3-6-10)19-20(13)14(21)12-7-4-8-22-12/h1-9H
InChIKeyANNHTCWLIXSRFZ-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.85
Rot. Bonds2

About furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone

furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 11426736) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID11426736
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Namefuran-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(c1ccco1)n1nc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)13-9-11(10-5-2-1-3-6-10)19-20(13)14(21)12-7-4-8-22-12/h1-9H
InChIKeyANNHTCWLIXSRFZ-UHFFFAOYSA-N
XLogP3.85
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone (CID 11426736) is furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone is O=C(c1ccco1)n1nc(-c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is ANNHTCWLIXSRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)13-9-11(10-5-2-1-3-6-10)19-20(13)14(21)12-7-4-8-22-12/h1-9H.
What are the key properties of furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone?
furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 306.24 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 11426736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).