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

C11H8BrCl2N3O — CID 2808832

IUPACN-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide
SMILESCn1ncc(Br)c1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8BrCl2N3O/c1-17-10(9(12)5-15-17)16-11(18)6-2-7(13)4-8(14)3-6/h2-5H,1H3,(H,16,18)
InChIKeyUQBJTEOAQQHKDX-UHFFFAOYSA-N
MW349.02 g/mol
LogP3.74
Rot. Bonds2

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

N-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide (PubChem CID 2808832) has the molecular formula C11H8BrCl2N3O and a molecular weight of 349.02 g/mol. Its IUPAC name is N-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide
PubChem CID2808832
Molecular FormulaC11H8BrCl2N3O
Molecular Weight349.02 g/mol
Exact Mass346.92
IUPAC NameN-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide
SMILESCn1ncc(Br)c1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8BrCl2N3O/c1-17-10(9(12)5-15-17)16-11(18)6-2-7(13)4-8(14)3-6/h2-5H,1H3,(H,16,18)
InChIKeyUQBJTEOAQQHKDX-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide?
The IUPAC name of N-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide (CID 2808832) is N-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide is Cn1ncc(Br)c1NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide?
The InChIKey is UQBJTEOAQQHKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3O/c1-17-10(9(12)5-15-17)16-11(18)6-2-7(13)4-8(14)3-6/h2-5H,1H3,(H,16,18).
What are the key properties of N-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide?
N-(4-bromo-1-methylpyrazol-5-yl)-3,5-dichlorobenzamide has a molecular weight of 349.02 g/mol, XLogP of 3.74, 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-methylpyrazol-5-yl)-3,5-dichlorobenzamide is sourced from PubChem (CID 2808832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).