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

C22H16F3N3O — CID 58138788

IUPAC1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)16-7-4-6-15(12-16)13-26-21(29)18-10-5-11-20-19(18)14-27-28(20)17-8-2-1-3-9-17/h1-12,14H,13H2,(H,26,29)
InChIKeyAPQXVIPUAMCGKJ-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.97
Rot. Bonds4

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

1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 58138788) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID58138788
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)16-7-4-6-15(12-16)13-26-21(29)18-10-5-11-20-19(18)14-27-28(20)17-8-2-1-3-9-17/h1-12,14H,13H2,(H,26,29)
InChIKeyAPQXVIPUAMCGKJ-UHFFFAOYSA-N
XLogP4.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (CID 58138788) is 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is APQXVIPUAMCGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c23-22(24,25)16-7-4-6-15(12-16)13-26-21(29)18-10-5-11-20-19(18)14-27-28(20)17-8-2-1-3-9-17/h1-12,14H,13H2,(H,26,29).
What are the key properties of 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).