2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide

C17H15F3N4O — CID 46226354

IUPAC2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1C(F)(F)F
InChIInChI=1S/C17H15F3N4O/c1-22-8-10-5-6-12(7-14(10)17(18,19)20)24-9-11-3-2-4-13(16(21)25)15(11)23-24/h2-7,9,22H,8H2,1H3,(H2,21,25)
InChIKeyKJEJGHQKAMFWRU-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.86
Rot. Bonds4

About 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide

2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide (PubChem CID 46226354) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide
PubChem CID46226354
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1C(F)(F)F
InChIInChI=1S/C17H15F3N4O/c1-22-8-10-5-6-12(7-14(10)17(18,19)20)24-9-11-3-2-4-13(16(21)25)15(11)23-24/h2-7,9,22H,8H2,1H3,(H2,21,25)
InChIKeyKJEJGHQKAMFWRU-UHFFFAOYSA-N
XLogP2.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide (CID 46226354) is 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide is CNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide?
The InChIKey is KJEJGHQKAMFWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-22-8-10-5-6-12(7-14(10)17(18,19)20)24-9-11-3-2-4-13(16(21)25)15(11)23-24/h2-7,9,22H,8H2,1H3,(H2,21,25).
What are the key properties of 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide?
2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).