N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H10BrClF3N3O — CID 1349881

IUPACN-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H10BrClF3N3O/c1-7-11(15)12(13(16,17)18)20-21(7)6-10(22)19-9-4-2-8(14)3-5-9/h2-5H,6H2,1H3,(H,19,22)
InChIKeyGILASDOACSSZTN-UHFFFAOYSA-N
MW396.59 g/mol
LogP4.26
Rot. Bonds3

About N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 1349881) has the molecular formula C13H10BrClF3N3O and a molecular weight of 396.59 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID1349881
Molecular FormulaC13H10BrClF3N3O
Molecular Weight396.59 g/mol
Exact Mass394.96
IUPAC NameN-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H10BrClF3N3O/c1-7-11(15)12(13(16,17)18)20-21(7)6-10(22)19-9-4-2-8(14)3-5-9/h2-5H,6H2,1H3,(H,19,22)
InChIKeyGILASDOACSSZTN-UHFFFAOYSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.59
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1014486
1-[4-(4-Bromo-phenyl)-piperazin-1-yl]-2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1yl)-ethanone
CID 21070982
N-(4-bromophenyl)-2-[3-(trifluoromethyl)(1H-4,5,6,7-tetrahydroindazolyl)]aceta mide
CID 1129701
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 1920872
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-phenylacetamide
CID 1984770
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 1113733
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 1886269
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 744103
N-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 1100792
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 1101545
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 1113731
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2,5-dichlorophenyl)acetamide
CID 1113732

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 1349881) is N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is GILASDOACSSZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClF3N3O/c1-7-11(15)12(13(16,17)18)20-21(7)6-10(22)19-9-4-2-8(14)3-5-9/h2-5H,6H2,1H3,(H,19,22).
What are the key properties of N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 396.59 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 1349881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).