N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide

C17H12BrCl2N3O — CID 55643391

IUPACN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2Cl)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C17H12BrCl2N3O/c1-10-8-15(23(22-10)12-5-2-4-11(18)9-12)21-17(24)13-6-3-7-14(19)16(13)20/h2-9H,1H3,(H,21,24)
InChIKeyQVAVWPNDBXWNAD-UHFFFAOYSA-N
MW425.11 g/mol
LogP5.50
Rot. Bonds3

About N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide

N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide (PubChem CID 55643391) has the molecular formula C17H12BrCl2N3O and a molecular weight of 425.11 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
PubChem CID55643391
Molecular FormulaC17H12BrCl2N3O
Molecular Weight425.11 g/mol
Exact Mass422.95
IUPAC NameN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2Cl)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C17H12BrCl2N3O/c1-10-8-15(23(22-10)12-5-2-4-11(18)9-12)21-17(24)13-6-3-7-14(19)16(13)20/h2-9H,1H3,(H,21,24)
InChIKeyQVAVWPNDBXWNAD-UHFFFAOYSA-N
XLogP5.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.11
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
5-bromo-2-chloro-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43018546
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
CID 46088066
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 55378047
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohex-3-ene-1-carboxamide
CID 43068255
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55377865
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-cyclopentylacetamide
CID 55643474

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide?
The IUPAC name of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide (CID 55643391) is N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide?
The canonical SMILES for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide is Cc1cc(NC(=O)c2cccc(Cl)c2Cl)n(-c2cccc(Br)c2)n1.
What is the InChIKey of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide?
The InChIKey is QVAVWPNDBXWNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrCl2N3O/c1-10-8-15(23(22-10)12-5-2-4-11(18)9-12)21-17(24)13-6-3-7-14(19)16(13)20/h2-9H,1H3,(H,21,24).
What are the key properties of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide?
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide has a molecular weight of 425.11 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide is sourced from PubChem (CID 55643391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).