4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide

C23H15F4N3O — CID 19286615

IUPAC4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H15F4N3O/c24-18-12-19(25)22(27)17(21(18)26)13-30-11-10-20(29-30)28-23(31)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H,28,29,31)
InChIKeyVMNYKNHQFGRFOI-UHFFFAOYSA-N
MW425.39 g/mol
LogP5.41
Rot. Bonds5

About 4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide

4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19286615) has the molecular formula C23H15F4N3O and a molecular weight of 425.39 g/mol. Its IUPAC name is 4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19286615
Molecular FormulaC23H15F4N3O
Molecular Weight425.39 g/mol
Exact Mass425.12
IUPAC Name4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H15F4N3O/c24-18-12-19(25)22(27)17(21(18)26)13-30-11-10-20(29-30)28-23(31)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H,28,29,31)
InChIKeyVMNYKNHQFGRFOI-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.39
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286680
3,5-dinitro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286430
3-nitro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286417
1-benzyl-2,3-dimethyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]indole-5-carboxamide
CID 19286379
2-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19286661
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19285520
4-(difluoromethoxy)-3-ethoxy-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286564
4-ethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286726
1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19286548
3,4-dimethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286906
6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide
CID 2965391
N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 19286658

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19286615) is 4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is VMNYKNHQFGRFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N3O/c24-18-12-19(25)22(27)17(21(18)26)13-30-11-10-20(29-30)28-23(31)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H,28,29,31).
What are the key properties of 4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide?
4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 425.39 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19286615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).