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

C15H19BrF3N5O — CID 19532635

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
SMILESCCn1nccc1C(C)NC(=O)C(C)n1nc(C(F)(F)F)c(Br)c1C
InChIInChI=1S/C15H19BrF3N5O/c1-5-23-11(6-7-20-23)8(2)21-14(25)10(4)24-9(3)12(16)13(22-24)15(17,18)19/h6-8,10H,5H2,1-4H3,(H,21,25)
InChIKeyZHDUBLUXZBZMDV-UHFFFAOYSA-N
MW422.25 g/mol
LogP3.63
Rot. Bonds5

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

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide (PubChem CID 19532635) has the molecular formula C15H19BrF3N5O and a molecular weight of 422.25 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
PubChem CID19532635
Molecular FormulaC15H19BrF3N5O
Molecular Weight422.25 g/mol
Exact Mass421.07
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
SMILESCCn1nccc1C(C)NC(=O)C(C)n1nc(C(F)(F)F)c(Br)c1C
InChIInChI=1S/C15H19BrF3N5O/c1-5-23-11(6-7-20-23)8(2)21-14(25)10(4)24-9(3)12(16)13(22-24)15(17,18)19/h6-8,10H,5H2,1-4H3,(H,21,25)
InChIKeyZHDUBLUXZBZMDV-UHFFFAOYSA-N
XLogP3.63
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536002
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19533530
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
CID 4770975
(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-(furan-2-ylmethyl)propanamide
CID 19532503
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538936
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]acetamide
CID 19520165
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294706
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 45154060
(2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 40622218
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19541623
2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414972

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide (CID 19532635) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide is CCn1nccc1C(C)NC(=O)C(C)n1nc(C(F)(F)F)c(Br)c1C.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide?
The InChIKey is ZHDUBLUXZBZMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N5O/c1-5-23-11(6-7-20-23)8(2)21-14(25)10(4)24-9(3)12(16)13(22-24)15(17,18)19/h6-8,10H,5H2,1-4H3,(H,21,25).
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide has a molecular weight of 422.25 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 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-(2-ethylpyrazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 19532635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).