4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide

C13H14BrF3N6O2 — CID 19412305

IUPAC4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CCC(=O)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C13H14BrF3N6O2/c1-6-9(14)11(13(15,16)17)21-23(6)4-3-8(24)20-7-5-19-22(2)10(7)12(18)25/h5H,3-4H2,1-2H3,(H2,18,25)(H,20,24)
InChIKeyFXGROKXLMFYNHL-UHFFFAOYSA-N
MW423.19 g/mol
LogP1.83
Rot. Bonds5

About 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide

4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide (PubChem CID 19412305) has the molecular formula C13H14BrF3N6O2 and a molecular weight of 423.19 g/mol. Its IUPAC name is 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
PubChem CID19412305
Molecular FormulaC13H14BrF3N6O2
Molecular Weight423.19 g/mol
Exact Mass422.03
IUPAC Name4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CCC(=O)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C13H14BrF3N6O2/c1-6-9(14)11(13(15,16)17)21-23(6)4-3-8(24)20-7-5-19-22(2)10(7)12(18)25/h5H,3-4H2,1-2H3,(H2,18,25)(H,20,24)
InChIKeyFXGROKXLMFYNHL-UHFFFAOYSA-N
XLogP1.83
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.19
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide 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

4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19551924
4-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19523244
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398172
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19550123
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide
CID 19322836
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
CID 4770975
1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19412295
methyl 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19551888
4-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19556451
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 19551944
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-nitrophenyl)propanamide
CID 19550125
ethyl 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 19523225

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide (CID 19412305) is 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide is Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)Nc1cnn(C)c1C(N)=O.
What is the InChIKey of 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is FXGROKXLMFYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N6O2/c1-6-9(14)11(13(15,16)17)21-23(6)4-3-8(24)20-7-5-19-22(2)10(7)12(18)25/h5H,3-4H2,1-2H3,(H2,18,25)(H,20,24).
What are the key properties of 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 423.19 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19412305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).