N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide

C12H10BrClFN3O — CID 107470577

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2c(Cl)cc(F)cc2Br)cnn1C
InChIInChI=1S/C12H10BrClFN3O/c1-6-8(5-16-18(6)2)12(19)17-11-9(13)3-7(15)4-10(11)14/h3-5H,1-2H3,(H,17,19)
InChIKeyXUINQXVIANKWCN-UHFFFAOYSA-N
MW346.59 g/mol
LogP3.54
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 107470577) has the molecular formula C12H10BrClFN3O and a molecular weight of 346.59 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID107470577
Molecular FormulaC12H10BrClFN3O
Molecular Weight346.59 g/mol
Exact Mass344.97
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2c(Cl)cc(F)cc2Br)cnn1C
InChIInChI=1S/C12H10BrClFN3O/c1-6-8(5-16-18(6)2)12(19)17-11-9(13)3-7(15)4-10(11)14/h3-5H,1-2H3,(H,17,19)
InChIKeyXUINQXVIANKWCN-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62721395
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103867736
5-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 107611541
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103874009
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
3-bromo-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 63113008
N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 82706059

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 107470577) is N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2c(Cl)cc(F)cc2Br)cnn1C.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is XUINQXVIANKWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O/c1-6-8(5-16-18(6)2)12(19)17-11-9(13)3-7(15)4-10(11)14/h3-5H,1-2H3,(H,17,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 346.59 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 107470577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).