2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide

C14H17BrF3N5O — CID 4770398

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCCn1cc(CN(C)C(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cn1
InChIInChI=1S/C14H17BrF3N5O/c1-4-22-7-10(5-19-22)6-21(3)11(24)8-23-9(2)12(15)13(20-23)14(16,17)18/h5,7H,4,6,8H2,1-3H3
InChIKeyRDAALLXOKKIUAN-UHFFFAOYSA-N
MW408.22 g/mol
LogP2.85
Rot. Bonds5

About 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 4770398) has the molecular formula C14H17BrF3N5O and a molecular weight of 408.22 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID4770398
Molecular FormulaC14H17BrF3N5O
Molecular Weight408.22 g/mol
Exact Mass407.06
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCCn1cc(CN(C)C(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cn1
InChIInChI=1S/C14H17BrF3N5O/c1-4-22-7-10(5-19-22)6-21(3)11(24)8-23-9(2)12(15)13(20-23)14(16,17)18/h5,7H,4,6,8H2,1-3H3
InChIKeyRDAALLXOKKIUAN-UHFFFAOYSA-N
XLogP2.85
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide 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

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 17020811
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 17020519
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19619348
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 19575662
3-bromo-5-[(1-ethylpyrazol-4-yl)methyl-methylcarbamoyl]benzoic acid
CID 136544031
ethyl 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 19523225
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19531188
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
CID 19523263
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 19550194
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19551924
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19523174
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)acetamide
CID 19523062

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide (CID 4770398) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide is CCn1cc(CN(C)C(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cn1.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is RDAALLXOKKIUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3N5O/c1-4-22-7-10(5-19-22)6-21(3)11(24)8-23-9(2)12(15)13(20-23)14(16,17)18/h5,7H,4,6,8H2,1-3H3.
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 408.22 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 4770398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).