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

C21H14F3N3O2 — CID 46081922

IUPACN-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)15-8-10-16(11-9-15)27-19(13-17(26-27)18-7-4-12-29-18)25-20(28)14-5-2-1-3-6-14/h1-13H,(H,25,28)
InChIKeyLWGMRWUWFRAYKB-UHFFFAOYSA-N
MW397.36 g/mol
LogP5.40
Rot. Bonds4

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

N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide (PubChem CID 46081922) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide
PubChem CID46081922
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC NameN-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)15-8-10-16(11-9-15)27-19(13-17(26-27)18-7-4-12-29-18)25-20(28)14-5-2-1-3-6-14/h1-13H,(H,25,28)
InChIKeyLWGMRWUWFRAYKB-UHFFFAOYSA-N
XLogP5.40
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.36
LogP ≤ 55.40
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
Methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate
CID 162665882
4-[5-Azido-3-(furan-2-yl)pyrazol-1-yl]benzoic acid
CID 162676072
4-[5-Amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid
CID 162677191
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045068
1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2822416
(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
3-(Furan-2-yl)-1-phenyl-1h-pyrazol-5-amine
CID 12288137
1-(4-Fluorophenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 16769813
3-(Furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine
CID 63173008
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide?
The IUPAC name of N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide (CID 46081922) is N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide?
The canonical SMILES for N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide is O=C(Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide?
The InChIKey is LWGMRWUWFRAYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c22-21(23,24)15-8-10-16(11-9-15)27-19(13-17(26-27)18-7-4-12-29-18)25-20(28)14-5-2-1-3-6-14/h1-13H,(H,25,28).
What are the key properties of N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide?
N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide has a molecular weight of 397.36 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide is sourced from PubChem (CID 46081922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).