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

C22H15ClF3N3O — CID 58138845

IUPAC1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClF3N3O/c23-16-7-9-17(10-8-16)29-20-6-2-5-18(19(20)13-28-29)21(30)27-12-14-3-1-4-15(11-14)22(24,25)26/h1-11,13H,12H2,(H,27,30)
InChIKeyWJTALSVMAYNMLG-UHFFFAOYSA-N
MW429.83 g/mol
LogP5.63
Rot. Bonds4

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

1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 58138845) has the molecular formula C22H15ClF3N3O and a molecular weight of 429.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID58138845
Molecular FormulaC22H15ClF3N3O
Molecular Weight429.83 g/mol
Exact Mass429.09
IUPAC Name1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClF3N3O/c23-16-7-9-17(10-8-16)29-20-6-2-5-18(19(20)13-28-29)21(30)27-12-14-3-1-4-15(11-14)22(24,25)26/h1-11,13H,12H2,(H,27,30)
InChIKeyWJTALSVMAYNMLG-UHFFFAOYSA-N
XLogP5.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.83
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-methylindazole-5-carboxamide
CID 77844718
2-(3-Chlorophenyl)-2H-indazole-7-carboxamide
CID 44549374
2-(4-Chlorophenyl)-2H-indazole-7-carboxamide
CID 44549375
1-(4-chlorophenyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 11211557
2-(4-((methylamino)methyl)-3-(trifluoromethyl)phenyl)-2H-indazole-7-carboxamide
CID 46226354
5-chloro-2-(4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226380
N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138781
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138788
1-(4-Fluorophenyl)-1H-indazole-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 58138826
1-(6-fluoropyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138868
1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138911
N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide
CID 59193828

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (CID 58138845) is 1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is WJTALSVMAYNMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O/c23-16-7-9-17(10-8-16)29-20-6-2-5-18(19(20)13-28-29)21(30)27-12-14-3-1-4-15(11-14)22(24,25)26/h1-11,13H,12H2,(H,27,30).
What are the key properties of 1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 429.83 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).