3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide

C22H12F7N3O2 — CID 46088032

IUPAC3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H12F7N3O2/c23-15-9-12(8-14(10-15)22(27,28)29)20(33)30-19-11-17(18-2-1-7-34-18)31-32(19)16-5-3-13(4-6-16)21(24,25)26/h1-11H,(H,30,33)
InChIKeyOSOFSLHTNQPWGC-UHFFFAOYSA-N
MW483.34 g/mol
LogP6.56
Rot. Bonds4

About 3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide (PubChem CID 46088032) has the molecular formula C22H12F7N3O2 and a molecular weight of 483.34 g/mol. Its IUPAC name is 3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide
PubChem CID46088032
Molecular FormulaC22H12F7N3O2
Molecular Weight483.34 g/mol
Exact Mass483.08
IUPAC Name3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H12F7N3O2/c23-15-9-12(8-14(10-15)22(27,28)29)20(33)30-19-11-17(18-2-1-7-34-18)31-32(19)16-5-3-13(4-6-16)21(24,25)26/h1-11H,(H,30,33)
InChIKeyOSOFSLHTNQPWGC-UHFFFAOYSA-N
XLogP6.56
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.34
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939586
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CID 162665882
4-[5-Amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid
CID 162677191
1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2742777
(E)-2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 1527403
N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
CID 2742771
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CID 12288137
1-(4-Fluorophenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 16769813
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-2,6-difluorobenzamide
CID 135955410
3-(Furan-2-yl)-1-(4-propan-2-ylphenyl)pyrazol-5-amine
CID 162668421
2-(3,5-dimethylphenyl)-5-(furan-2-yl)-2,3-dihydro-1H-pyrazol-3-imine
CID 16770114
N-(3,4-dimethylphenyl)-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1102023

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide (CID 46088032) is 3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide is O=C(Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is OSOFSLHTNQPWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F7N3O2/c23-15-9-12(8-14(10-15)22(27,28)29)20(33)30-19-11-17(18-2-1-7-34-18)31-32(19)16-5-3-13(4-6-16)21(24,25)26/h1-11H,(H,30,33).
What are the key properties of 3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 483.34 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 46088032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).