N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide

C12H10BrCl2N3O — CID 2818776

IUPACN-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide
SMILESCc1nn(C)c(NC(=O)c2ccc(Cl)cc2Cl)c1Br
InChIInChI=1S/C12H10BrCl2N3O/c1-6-10(13)11(18(2)17-6)16-12(19)8-4-3-7(14)5-9(8)15/h3-5H,1-2H3,(H,16,19)
InChIKeyHMIULVGMKYVGFS-UHFFFAOYSA-N
MW363.04 g/mol
LogP4.05
Rot. Bonds2

About N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide

N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide (PubChem CID 2818776) has the molecular formula C12H10BrCl2N3O and a molecular weight of 363.04 g/mol. Its IUPAC name is N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide
PubChem CID2818776
Molecular FormulaC12H10BrCl2N3O
Molecular Weight363.04 g/mol
Exact Mass360.94
IUPAC NameN-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide
SMILESCc1nn(C)c(NC(=O)c2ccc(Cl)cc2Cl)c1Br
InChIInChI=1S/C12H10BrCl2N3O/c1-6-10(13)11(18(2)17-6)16-12(19)8-4-3-7(14)5-9(8)15/h3-5H,1-2H3,(H,16,19)
InChIKeyHMIULVGMKYVGFS-UHFFFAOYSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
CID 2818783
4-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753079
2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 5121984
4-chloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide
CID 2310884
2,4-dichloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide
CID 2320430
N-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide
CID 2808832
N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-chlorobenzamide
CID 2818780
2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
CID 2818782
N1-[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]-2-chlorobenzamide
CID 2818806
2,4-Dichloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4862736
4-chloro-N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)benzamide
CID 24983126
N-(4-bromo-2-tert-butyl-5-methyl-3-pyrazolyl)-2,4-dichlorobenzamide
CID 2818811

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide?
The IUPAC name of N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide (CID 2818776) is N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide is Cc1nn(C)c(NC(=O)c2ccc(Cl)cc2Cl)c1Br.
What is the InChIKey of N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide?
The InChIKey is HMIULVGMKYVGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O/c1-6-10(13)11(18(2)17-6)16-12(19)8-4-3-7(14)5-9(8)15/h3-5H,1-2H3,(H,16,19).
What are the key properties of N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide?
N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide has a molecular weight of 363.04 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide is sourced from PubChem (CID 2818776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).