4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide

C25H16F5N3O2 — CID 56990733

IUPAC4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide
SMILESCc1ccc(-c2nn(C(=O)Nc3ccc4c(c3)C(F)(F)C(F)(F)O4)cc2-c2cccc(F)c2)cc1
InChIInChI=1S/C25H16F5N3O2/c1-14-5-7-15(8-6-14)22-19(16-3-2-4-17(26)11-16)13-33(32-22)23(34)31-18-9-10-21-20(12-18)24(27,28)25(29,30)35-21/h2-13H,1H3,(H,31,34)
InChIKeyXUYRIVKEGISCMT-UHFFFAOYSA-N
MW485.41 g/mol
LogP6.82
Rot. Bonds3

About 4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide

4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide (PubChem CID 56990733) has the molecular formula C25H16F5N3O2 and a molecular weight of 485.41 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide
PubChem CID56990733
Molecular FormulaC25H16F5N3O2
Molecular Weight485.41 g/mol
Exact Mass485.12
IUPAC Name4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide
SMILESCc1ccc(-c2nn(C(=O)Nc3ccc4c(c3)C(F)(F)C(F)(F)O4)cc2-c2cccc(F)c2)cc1
InChIInChI=1S/C25H16F5N3O2/c1-14-5-7-15(8-6-14)22-19(16-3-2-4-17(26)11-16)13-33(32-22)23(34)31-18-9-10-21-20(12-18)24(27,28)25(29,30)35-21/h2-13H,1H3,(H,31,34)
InChIKeyXUYRIVKEGISCMT-UHFFFAOYSA-N
XLogP6.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.41
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57065633
N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,4-bis(4-fluorophenyl)pyrazole-1-carboxamide
CID 57316781
4-(4-fluorophenyl)-5-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-1,3-dihydropyrazole-2-carboxamide
CID 88643107
3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide
CID 57205191
3,4-bis(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazole-1-carboxamide
CID 56984935
3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57111578
N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide
CID 56690712
3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57265619
3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57036576
3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide
CID 56982754
3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57319763
3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57015409

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide (CID 56990733) is 4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide is Cc1ccc(-c2nn(C(=O)Nc3ccc4c(c3)C(F)(F)C(F)(F)O4)cc2-c2cccc(F)c2)cc1.
What is the InChIKey of 4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide?
The InChIKey is XUYRIVKEGISCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F5N3O2/c1-14-5-7-15(8-6-14)22-19(16-3-2-4-17(26)11-16)13-33(32-22)23(34)31-18-9-10-21-20(12-18)24(27,28)25(29,30)35-21/h2-13H,1H3,(H,31,34).
What are the key properties of 4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide?
4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide has a molecular weight of 485.41 g/mol, XLogP of 6.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 56990733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).