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

C16H18BrF3N6O2 — CID 4769878

IUPAC4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)C(C)n2nc(C(F)(F)F)c(Br)c2C2CC2)c1C(N)=O
InChIInChI=1S/C16H18BrF3N6O2/c1-3-25-12(14(21)27)9(6-22-25)23-15(28)7(2)26-11(8-4-5-8)10(17)13(24-26)16(18,19)20/h6-8H,3-5H2,1-2H3,(H2,21,27)(H,23,28)
InChIKeyHMPCJEMGGBYZKN-UHFFFAOYSA-N
MW463.26 g/mol
LogP3.06
Rot. Bonds6

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

4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide (PubChem CID 4769878) has the molecular formula C16H18BrF3N6O2 and a molecular weight of 463.26 g/mol. Its IUPAC name is 4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
PubChem CID4769878
Molecular FormulaC16H18BrF3N6O2
Molecular Weight463.26 g/mol
Exact Mass462.06
IUPAC Name4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)C(C)n2nc(C(F)(F)F)c(Br)c2C2CC2)c1C(N)=O
InChIInChI=1S/C16H18BrF3N6O2/c1-3-25-12(14(21)27)9(6-22-25)23-15(28)7(2)26-11(8-4-5-8)10(17)13(24-26)16(18,19)20/h6-8H,3-5H2,1-2H3,(H2,21,27)(H,23,28)
InChIKeyHMPCJEMGGBYZKN-UHFFFAOYSA-N
XLogP3.06
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.26
LogP ≤ 53.06
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-methylpyrazole-5-carboxamide
CID 4769402
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
CID 4770975
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide
CID 19532961
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 19532808
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxyethyl)propanamide
CID 19532767
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 19532696
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-hexylpropanamide
CID 19532714
4-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19556451
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19532978
(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 40599289
3-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19532979
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 19532771

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide (CID 4769878) is 4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)C(C)n2nc(C(F)(F)F)c(Br)c2C2CC2)c1C(N)=O.
What is the InChIKey of 4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide?
The InChIKey is HMPCJEMGGBYZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrF3N6O2/c1-3-25-12(14(21)27)9(6-22-25)23-15(28)7(2)26-11(8-4-5-8)10(17)13(24-26)16(18,19)20/h6-8H,3-5H2,1-2H3,(H2,21,27)(H,23,28).
What are the key properties of 4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide?
4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide has a molecular weight of 463.26 g/mol, XLogP of 3.06, 6 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-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 4769878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).