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

C15H12BrF6N3O2 — CID 19551939

IUPAC3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CCC(=O)Nc1ccc(F)cc1OC(F)F
InChIInChI=1S/C15H12BrF6N3O2/c1-7-12(16)13(15(20,21)22)24-25(7)5-4-11(26)23-9-3-2-8(17)6-10(9)27-14(18)19/h2-3,6,14H,4-5H2,1H3,(H,23,26)
InChIKeySACVLDLISKPHHH-UHFFFAOYSA-N
MW460.17 g/mol
LogP4.74
Rot. Bonds6

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

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide (PubChem CID 19551939) has the molecular formula C15H12BrF6N3O2 and a molecular weight of 460.17 g/mol. Its IUPAC name is 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide.

Molecular Properties

Compound Name3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide
PubChem CID19551939
Molecular FormulaC15H12BrF6N3O2
Molecular Weight460.17 g/mol
Exact Mass459.00
IUPAC Name3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CCC(=O)Nc1ccc(F)cc1OC(F)F
InChIInChI=1S/C15H12BrF6N3O2/c1-7-12(16)13(15(20,21)22)24-25(7)5-4-11(26)23-9-3-2-8(17)6-10(9)27-14(18)19/h2-3,6,14H,4-5H2,1H3,(H,23,26)
InChIKeySACVLDLISKPHHH-UHFFFAOYSA-N
XLogP4.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.17
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557669
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide
CID 19523555
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19550123
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-2-methylphenyl]propanamide
CID 19556346
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525992
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 19551944
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-nitrophenyl)propanamide
CID 19550125
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517063
N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552093
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
CID 19412305
methyl 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19551888
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19561563

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide?
The IUPAC name of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide (CID 19551939) is 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide.
What is the SMILES notation for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide?
The canonical SMILES for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide is Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)Nc1ccc(F)cc1OC(F)F.
What is the InChIKey of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide?
The InChIKey is SACVLDLISKPHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF6N3O2/c1-7-12(16)13(15(20,21)22)24-25(7)5-4-11(26)23-9-3-2-8(17)6-10(9)27-14(18)19/h2-3,6,14H,4-5H2,1H3,(H,23,26).
What are the key properties of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide?
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide has a molecular weight of 460.17 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide is sourced from PubChem (CID 19551939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).