N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide

C10H7BrF3N3O — CID 90376641

IUPACN-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCn1nc(NC(=O)C(F)(F)F)c2cccc(Br)c21
InChIInChI=1S/C10H7BrF3N3O/c1-17-7-5(3-2-4-6(7)11)8(16-17)15-9(18)10(12,13)14/h2-4H,1H3,(H,15,16,18)
InChIKeyNFPXWZOAFCIFLJ-UHFFFAOYSA-N
MW322.08 g/mol
LogP2.84
Rot. Bonds1

About N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide

N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 90376641) has the molecular formula C10H7BrF3N3O and a molecular weight of 322.08 g/mol. Its IUPAC name is N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide
PubChem CID90376641
Molecular FormulaC10H7BrF3N3O
Molecular Weight322.08 g/mol
Exact Mass320.97
IUPAC NameN-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCn1nc(NC(=O)C(F)(F)F)c2cccc(Br)c21
InChIInChI=1S/C10H7BrF3N3O/c1-17-7-5(3-2-4-6(7)11)8(16-17)15-9(18)10(12,13)14/h2-4H,1H3,(H,15,16,18)
InChIKeyNFPXWZOAFCIFLJ-UHFFFAOYSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluoro-1-methyl-1H-indazol-3-yl)-2,2-dimethylpropanamide
CID 2742964
2-bromo-N-(6-bromo-1H-indazol-3-yl)-2,2-difluoroacetamide
CID 168272576
N-(6-bromo-1H-indazol-3-yl)-2,2-difluoroacetamide
CID 168289148
7-Bromo-1-methyl-1H-indazol-3-amine
CID 83911247
N-(4-fluoro-1-methylindazol-3-yl)propanamide
CID 2742974
N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide
CID 2809601
N-(5-bromo-6,7-difluoro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl)butanamide
CID 10095181
N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide
CID 22319657
Acetamide,n-(5-bromo-1h-indazol-3-yl)-2,2,2-trifluoro-
CID 22607257
N-[1-(trifluoromethyl)indazol-3-yl]but-2-enamide
CID 69815158
(E)-N-[1-(trifluoromethyl)indazol-3-yl]but-2-enamide
CID 88005812
N-(7-bromo-1-methyl-1H-indazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide
CID 90376103

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide (CID 90376641) is N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide is Cn1nc(NC(=O)C(F)(F)F)c2cccc(Br)c21.
What is the InChIKey of N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is NFPXWZOAFCIFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3O/c1-17-7-5(3-2-4-6(7)11)8(16-17)15-9(18)10(12,13)14/h2-4H,1H3,(H,15,16,18).
What are the key properties of N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide?
N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 322.08 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 90376641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).