4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide

C16H20BrF3N6O2 — CID 19551924

IUPAC4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C)c1C(=O)N(C)C
InChIInChI=1S/C16H20BrF3N6O2/c1-5-25-13(15(28)24(3)4)10(8-21-25)22-11(27)6-7-26-9(2)12(17)14(23-26)16(18,19)20/h8H,5-7H2,1-4H3,(H,22,27)
InChIKeyLRRFALTZJYFHCW-UHFFFAOYSA-N
MW465.27 g/mol
LogP2.92
Rot. Bonds6

About 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide

4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (PubChem CID 19551924) has the molecular formula C16H20BrF3N6O2 and a molecular weight of 465.27 g/mol. Its IUPAC name is 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
PubChem CID19551924
Molecular FormulaC16H20BrF3N6O2
Molecular Weight465.27 g/mol
Exact Mass464.08
IUPAC Name4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C)c1C(=O)N(C)C
InChIInChI=1S/C16H20BrF3N6O2/c1-5-25-13(15(28)24(3)4)10(8-21-25)22-11(27)6-7-26-9(2)12(17)14(23-26)16(18,19)20/h8H,5-7H2,1-4H3,(H,22,27)
InChIKeyLRRFALTZJYFHCW-UHFFFAOYSA-N
XLogP2.92
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19556451
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
CID 19412305
1-ethyl-N,N-dimethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559514
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19549789
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19550123
1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide
CID 19523854
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-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide
CID 19322836
methyl 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19551888
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
propyl 2-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 19550188
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
CID 4770975

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (CID 19551924) is 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C)c1C(=O)N(C)C.
What is the InChIKey of 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The InChIKey is LRRFALTZJYFHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrF3N6O2/c1-5-25-13(15(28)24(3)4)10(8-21-25)22-11(27)6-7-26-9(2)12(17)14(23-26)16(18,19)20/h8H,5-7H2,1-4H3,(H,22,27).
What are the key properties of 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide has a molecular weight of 465.27 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 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-ethyl-N,N-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19551924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).