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

C15H19BrF3N5O — CID 19536002

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
SMILESCCn1nccc1CN(C)C(=O)C(C)n1nc(C(F)(F)F)c(Br)c1C
InChIInChI=1S/C15H19BrF3N5O/c1-5-23-11(6-7-20-23)8-22(4)14(25)10(3)24-9(2)12(16)13(21-24)15(17,18)19/h6-7,10H,5,8H2,1-4H3
InChIKeyHVFFRZZOZIPKCR-UHFFFAOYSA-N
MW422.25 g/mol
LogP3.41
Rot. Bonds5

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

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide (PubChem CID 19536002) 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-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
PubChem CID19536002
Molecular FormulaC15H19BrF3N5O
Molecular Weight422.25 g/mol
Exact Mass421.07
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
SMILESCCn1nccc1CN(C)C(=O)C(C)n1nc(C(F)(F)F)c(Br)c1C
InChIInChI=1S/C15H19BrF3N5O/c1-5-23-11(6-7-20-23)8-22(4)14(25)10(3)24-9(2)12(16)13(21-24)15(17,18)19/h6-7,10H,5,8H2,1-4H3
InChIKeyHVFFRZZOZIPKCR-UHFFFAOYSA-N
XLogP3.41
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 19535998
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536019
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19532635
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294706
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19478689
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19531028
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
CID 4770975
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19454341
(2R)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 51390015
(2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide
CID 35520817
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 19532503
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536059

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide (CID 19536002) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide is CCn1nccc1CN(C)C(=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-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide?
The InChIKey is HVFFRZZOZIPKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N5O/c1-5-23-11(6-7-20-23)8-22(4)14(25)10(3)24-9(2)12(16)13(21-24)15(17,18)19/h6-7,10H,5,8H2,1-4H3.
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide has a molecular weight of 422.25 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 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-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 19536002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).