6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine

C15H11BrF3N3 — CID 130335345

IUPAC6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine
SMILESFC(F)(F)c1cccc(CNc2cc(Br)cc3[nH]ncc23)c1
InChIInChI=1S/C15H11BrF3N3/c16-11-5-13(12-8-21-22-14(12)6-11)20-7-9-2-1-3-10(4-9)15(17,18)19/h1-6,8,20H,7H2,(H,21,22)
InChIKeyXHWQIUNDWUOLTJ-UHFFFAOYSA-N
MW370.17 g/mol
LogP4.96
Rot. Bonds3

About 6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine

6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine (PubChem CID 130335345) has the molecular formula C15H11BrF3N3 and a molecular weight of 370.17 g/mol. Its IUPAC name is 6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine.

Molecular Properties

Compound Name6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine
PubChem CID130335345
Molecular FormulaC15H11BrF3N3
Molecular Weight370.17 g/mol
Exact Mass369.01
IUPAC Name6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine
SMILESFC(F)(F)c1cccc(CNc2cc(Br)cc3[nH]ncc23)c1
InChIInChI=1S/C15H11BrF3N3/c16-11-5-13(12-8-21-22-14(12)6-11)20-7-9-2-1-3-10(4-9)15(17,18)19/h1-6,8,20H,7H2,(H,21,22)
InChIKeyXHWQIUNDWUOLTJ-UHFFFAOYSA-N
XLogP4.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[(6-bromo-1H-indazol-4-yl)amino]methyl]anilino]acetic acid
CID 146669441
N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1H-indazol-4-amine
CID 146669427
5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 63871875
N-(2,1,3-benzoxadiazol-4-ylmethyl)-6-bromo-1H-indazol-4-amine
CID 146669430
4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 29016762
3-[3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]anilino]cyclohexan-1-one
CID 130335545
N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463412
N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine
CID 54865712
2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 62809900
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286070
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine?
The IUPAC name of 6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine (CID 130335345) is 6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine.
What is the SMILES notation for 6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine?
The canonical SMILES for 6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine is FC(F)(F)c1cccc(CNc2cc(Br)cc3[nH]ncc23)c1.
What is the InChIKey of 6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine?
The InChIKey is XHWQIUNDWUOLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3N3/c16-11-5-13(12-8-21-22-14(12)6-11)20-7-9-2-1-3-10(4-9)15(17,18)19/h1-6,8,20H,7H2,(H,21,22).
What are the key properties of 6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine?
6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine has a molecular weight of 370.17 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine is sourced from PubChem (CID 130335345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).