N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide

C11H10Br2N4O — CID 43548466

IUPACN-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2c(N)cc(Br)cc2Br)cn1
InChIInChI=1S/C11H10Br2N4O/c1-17-5-6(4-15-17)11(18)16-10-8(13)2-7(12)3-9(10)14/h2-5H,14H2,1H3,(H,16,18)
InChIKeyQMULRVHKQWUOAM-UHFFFAOYSA-N
MW374.04 g/mol
LogP2.78
Rot. Bonds2

About N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide

N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 43548466) has the molecular formula C11H10Br2N4O and a molecular weight of 374.04 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID43548466
Molecular FormulaC11H10Br2N4O
Molecular Weight374.04 g/mol
Exact Mass371.92
IUPAC NameN-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2c(N)cc(Br)cc2Br)cn1
InChIInChI=1S/C11H10Br2N4O/c1-17-5-6(4-15-17)11(18)16-10-8(13)2-7(12)3-9(10)14/h2-5H,14H2,1H3,(H,16,18)
InChIKeyQMULRVHKQWUOAM-UHFFFAOYSA-N
XLogP2.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.04
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,6-dibromophenyl)benzamide
CID 43548444
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 103824882
N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 28742303
N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide
CID 110695870
N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 82757494
N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide
CID 79729400
N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide
CID 43246535
N-(4-bromo-2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 82703356
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
N-[2-bromo-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 107790494
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199792
1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-4-carboxamide
CID 61132038

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide (CID 43548466) is N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2c(N)cc(Br)cc2Br)cn1.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is QMULRVHKQWUOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O/c1-17-5-6(4-15-17)11(18)16-10-8(13)2-7(12)3-9(10)14/h2-5H,14H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide?
N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 374.04 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 43548466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).