N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide

C11H9Br2N3O — CID 47083946

IUPACN-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C11H9Br2N3O/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,15,17)
InChIKeyIPLZZNRSTIQIEG-UHFFFAOYSA-N
MW359.02 g/mol
LogP3.20
Rot. Bonds2

About N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide

N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 47083946) has the molecular formula C11H9Br2N3O and a molecular weight of 359.02 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID47083946
Molecular FormulaC11H9Br2N3O
Molecular Weight359.02 g/mol
Exact Mass356.91
IUPAC NameN-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C11H9Br2N3O/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,15,17)
InChIKeyIPLZZNRSTIQIEG-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.02
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129736
N-(4-bromo-2-carbamothioylphenyl)-2-methylpyrazole-3-carboxamide
CID 82703437
ethyl 3-bromo-4-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 43664920
N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 86801789
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 19475556
4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
CID 60954928
3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62920806
N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110862990
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide (CID 47083946) is N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is IPLZZNRSTIQIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,15,17).
What are the key properties of N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide?
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 359.02 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 47083946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).