4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide

C14H16BrF3N6O2 — CID 4770975

IUPAC4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)C(C)n2nc(C(F)(F)F)c(Br)c2C)c1C(N)=O
InChIInChI=1S/C14H16BrF3N6O2/c1-4-23-10(12(19)25)8(5-20-23)21-13(26)7(3)24-6(2)9(15)11(22-24)14(16,17)18/h5,7H,4H2,1-3H3,(H2,19,25)(H,21,26)
InChIKeyCYAZIWSIDIAUBH-UHFFFAOYSA-N
MW437.22 g/mol
LogP2.49
Rot. Bonds5

About 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide

4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide (PubChem CID 4770975) has the molecular formula C14H16BrF3N6O2 and a molecular weight of 437.22 g/mol. Its IUPAC name is 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
PubChem CID4770975
Molecular FormulaC14H16BrF3N6O2
Molecular Weight437.22 g/mol
Exact Mass436.05
IUPAC Name4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)C(C)n2nc(C(F)(F)F)c(Br)c2C)c1C(N)=O
InChIInChI=1S/C14H16BrF3N6O2/c1-4-23-10(12(19)25)8(5-20-23)21-13(26)7(3)24-6(2)9(15)11(22-24)14(16,17)18/h5,7H,4H2,1-3H3,(H2,19,25)(H,21,26)
InChIKeyCYAZIWSIDIAUBH-UHFFFAOYSA-N
XLogP2.49
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.22
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
CID 4769878
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide
CID 19538290
4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
CID 4769402
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19532635
4-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19538352
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
CID 19412305
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluoro-5-methylphenyl)propanamide
CID 19532486
(2R)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylpropanamide
CID 35529151
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278313
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-(2-methyl-4-nitrophenyl)propanamide
CID 19532473
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 45154060

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide (CID 4770975) is 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)C(C)n2nc(C(F)(F)F)c(Br)c2C)c1C(N)=O.
What is the InChIKey of 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide?
The InChIKey is CYAZIWSIDIAUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF3N6O2/c1-4-23-10(12(19)25)8(5-20-23)21-13(26)7(3)24-6(2)9(15)11(22-24)14(16,17)18/h5,7H,4H2,1-3H3,(H2,19,25)(H,21,26).
What are the key properties of 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide?
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide has a molecular weight of 437.22 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 4770975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).