N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C15H11BrClF4N3O — CID 19527026

IUPACN-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrClF4N3O/c16-8-3-4-10(9(18)5-8)22-11(25)6-24-13(7-1-2-7)12(17)14(23-24)15(19,20)21/h3-5,7H,1-2,6H2,(H,22,25)
InChIKeyMPAZBBOFRKKNNH-UHFFFAOYSA-N
MW440.62 g/mol
LogP4.97
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19527026) has the molecular formula C15H11BrClF4N3O and a molecular weight of 440.62 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19527026
Molecular FormulaC15H11BrClF4N3O
Molecular Weight440.62 g/mol
Exact Mass438.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrClF4N3O/c16-8-3-4-10(9(18)5-8)22-11(25)6-24-13(7-1-2-7)12(17)14(23-24)15(19,20)21/h3-5,7H,1-2,6H2,(H,22,25)
InChIKeyMPAZBBOFRKKNNH-UHFFFAOYSA-N
XLogP4.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19523312
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 19526991
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 19527066
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 19527281
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19527008
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 19527047
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19527174
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 19527124
N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481522
4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19527236
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19527180
N-(2-adamantyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19527082

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19527026) is N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is MPAZBBOFRKKNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF4N3O/c16-8-3-4-10(9(18)5-8)22-11(25)6-24-13(7-1-2-7)12(17)14(23-24)15(19,20)21/h3-5,7H,1-2,6H2,(H,22,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 440.62 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19527026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).