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

C12H11BrClN3O — CID 2818781

IUPACN-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide
SMILESCc1nn(C)c(NC(=O)c2ccc(Cl)cc2)c1Br
InChIInChI=1S/C12H11BrClN3O/c1-7-10(13)11(17(2)16-7)15-12(18)8-3-5-9(14)6-4-8/h3-6H,1-2H3,(H,15,18)
InChIKeyXUHPKFNOVFTPRC-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.40
Rot. Bonds2

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

N-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide (PubChem CID 2818781) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is N-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide
PubChem CID2818781
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC NameN-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide
SMILESCc1nn(C)c(NC(=O)c2ccc(Cl)cc2)c1Br
InChIInChI=1S/C12H11BrClN3O/c1-7-10(13)11(17(2)16-7)15-12(18)8-3-5-9(14)6-4-8/h3-6H,1-2H3,(H,15,18)
InChIKeyXUHPKFNOVFTPRC-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.40
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-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
3-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753078
4-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753079
Benzamide, N-(1,3-dimethyl-1H-pyrazol-5-yl)-
CID 2818761
(4-Bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone
CID 674646
(4-Chloro-phenyl)-(3-methyl-5-phenylamino-pyrazol-1-yl)-methanone
CID 811890
N-[4-[(4-bromoanilino)-(diethylamino)phosphoryl]-1-(2-cyanoethyl)-3-methylpyrazol-5-yl]-4-chlorobenzamide
CID 2316385
N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 2818776
4-chloro-N-(1-cyclohexyl-3-phenyl-1H-pyrazol-5-yl)benzamide
CID 42601146
4-chloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 735950
4-chloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide
CID 2310884

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide?
The IUPAC name of N-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide (CID 2818781) is N-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide?
The canonical SMILES for N-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide is Cc1nn(C)c(NC(=O)c2ccc(Cl)cc2)c1Br.
What is the InChIKey of N-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide?
The InChIKey is XUHPKFNOVFTPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-7-10(13)11(17(2)16-7)15-12(18)8-3-5-9(14)6-4-8/h3-6H,1-2H3,(H,15,18).
What are the key properties of N-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide?
N-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-chlorobenzamide has a molecular weight of 328.60 g/mol, XLogP of 3.40, 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)-4-chlorobenzamide is sourced from PubChem (CID 2818781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).