1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

C22H15F4N3O — CID 58138765

IUPAC1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C22H15F4N3O/c23-16-6-2-7-17(11-16)29-20-9-3-8-18(19(20)13-28-29)21(30)27-12-14-4-1-5-15(10-14)22(24,25)26/h1-11,13H,12H2,(H,27,30)
InChIKeyRXJVLYGMHWFTKP-UHFFFAOYSA-N
MW413.37 g/mol
LogP5.11
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 58138765) has the molecular formula C22H15F4N3O and a molecular weight of 413.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID58138765
Molecular FormulaC22H15F4N3O
Molecular Weight413.37 g/mol
Exact Mass413.12
IUPAC Name1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C22H15F4N3O/c23-16-6-2-7-17(11-16)29-20-9-3-8-18(19(20)13-28-29)21(30)27-12-14-4-1-5-15(10-14)22(24,25)26/h1-11,13H,12H2,(H,27,30)
InChIKeyRXJVLYGMHWFTKP-UHFFFAOYSA-N
XLogP5.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.37
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (CID 58138765) is 1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is RXJVLYGMHWFTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N3O/c23-16-6-2-7-17(11-16)29-20-9-3-8-18(19(20)13-28-29)21(30)27-12-14-4-1-5-15(10-14)22(24,25)26/h1-11,13H,12H2,(H,27,30).
What are the key properties of 1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 413.37 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).