N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide

C11H8Br2N4O3 — CID 19475556

IUPACN-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H8Br2N4O3/c1-16-9(2-3-14-16)11(18)15-10-7(12)4-6(17(19)20)5-8(10)13/h2-5H,1H3,(H,15,18)
InChIKeyRIDQXVDDBAZAIY-UHFFFAOYSA-N
MW404.02 g/mol
LogP3.11
Rot. Bonds3

About N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide

N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 19475556) has the molecular formula C11H8Br2N4O3 and a molecular weight of 404.02 g/mol. Its IUPAC name is N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID19475556
Molecular FormulaC11H8Br2N4O3
Molecular Weight404.02 g/mol
Exact Mass401.90
IUPAC NameN-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H8Br2N4O3/c1-16-9(2-3-14-16)11(18)15-10-7(12)4-6(17(19)20)5-8(10)13/h2-5H,1H3,(H,15,18)
InChIKeyRIDQXVDDBAZAIY-UHFFFAOYSA-N
XLogP3.11
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.02
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506748
N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 157051605
2-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)pyrazole-3-carboxamide
CID 19507024
4-chloro-N-(2,6-dibromo-4-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476887
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-2-methylpyrazole-3-carboxamide
CID 19475634
N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129736
2-methyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide
CID 19475620
N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
CID 110467115
N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515910
N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526405
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide (CID 19475556) is N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is RIDQXVDDBAZAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N4O3/c1-16-9(2-3-14-16)11(18)15-10-7(12)4-6(17(19)20)5-8(10)13/h2-5H,1H3,(H,15,18).
What are the key properties of N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide?
N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 404.02 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19475556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).