N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C12H7BrClF4N3O — CID 19481522

IUPACN-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H7BrClF4N3O/c1-21-9(8(14)10(20-21)12(16,17)18)11(22)19-7-3-2-5(13)4-6(7)15/h2-4H,1H3,(H,19,22)
InChIKeyBUTYGEZROGDFMB-UHFFFAOYSA-N
MW400.56 g/mol
LogP4.25
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19481522) has the molecular formula C12H7BrClF4N3O and a molecular weight of 400.56 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19481522
Molecular FormulaC12H7BrClF4N3O
Molecular Weight400.56 g/mol
Exact Mass398.94
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H7BrClF4N3O/c1-21-9(8(14)10(20-21)12(16,17)18)11(22)19-7-3-2-5(13)4-6(7)15/h2-4H,1H3,(H,19,22)
InChIKeyBUTYGEZROGDFMB-UHFFFAOYSA-N
XLogP4.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4771991
N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19523312
4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481621
4-chloro-N-(2-cyano-4-nitrophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481744
4-chloro-N-(3-hydroxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506719
N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19527026
4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480984
4-chloro-1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481523
4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481723
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 14836867
N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261907
4-chloro-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481557

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19481522) is N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is BUTYGEZROGDFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF4N3O/c1-21-9(8(14)10(20-21)12(16,17)18)11(22)19-7-3-2-5(13)4-6(7)15/h2-4H,1H3,(H,19,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 400.56 g/mol, XLogP of 4.25, 2 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)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19481522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).