N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide

C7H7BrF3N3O — CID 19282850

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCn1cc(Br)cn1)C(F)(F)F
InChIInChI=1S/C7H7BrF3N3O/c8-5-3-13-14(4-5)2-1-12-6(15)7(9,10)11/h3-4H,1-2H2,(H,12,15)
InChIKeyCVQCRLIGXSJPDT-UHFFFAOYSA-N
MW286.05 g/mol
LogP1.32
Rot. Bonds3

About N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 19282850) has the molecular formula C7H7BrF3N3O and a molecular weight of 286.05 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID19282850
Molecular FormulaC7H7BrF3N3O
Molecular Weight286.05 g/mol
Exact Mass284.97
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCn1cc(Br)cn1)C(F)(F)F
InChIInChI=1S/C7H7BrF3N3O/c8-5-3-13-14(4-5)2-1-12-6(15)7(9,10)11/h3-4H,1-2H2,(H,12,15)
InChIKeyCVQCRLIGXSJPDT-UHFFFAOYSA-N
XLogP1.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-bromopyrazol-1-yl)ethyl]-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

(3S,4S)-1-[2-(4-bromopyrazol-1-yl)ethylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122014093
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19282862
1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea
CID 130563777
2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
CID 19297618
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-iodobenzamide
CID 19282707
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19282878
4-bromo-1-(4,4,4-trifluorobutyl)pyrazole
CID 115517822
1-[2-(4-bromopyrazol-1-yl)ethyl]-3-(3-fluorophenyl)urea
CID 39854977
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 114032446
N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 126982173
1-[3-(4-bromopyrazol-1-yl)propyl]-3-butylurea
CID 19334000
1-[2-(4-bromopyrazol-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 17300291

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide (CID 19282850) is N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCn1cc(Br)cn1)C(F)(F)F.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is CVQCRLIGXSJPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3O/c8-5-3-13-14(4-5)2-1-12-6(15)7(9,10)11/h3-4H,1-2H2,(H,12,15).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 286.05 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19282850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).