N-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide

C11H9Br2N3O — CID 1009261

IUPACN-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Br)cc2Br)n1
InChIInChI=1S/C11H9Br2N3O/c1-16-5-4-10(15-16)11(17)14-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,14,17)
InChIKeyQLLHSFQYLGAWQX-UHFFFAOYSA-N
MW359.02 g/mol
LogP3.20
Rot. Bonds2

About N-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide

N-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 1009261) has the molecular formula C11H9Br2N3O and a molecular weight of 359.02 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID1009261
Molecular FormulaC11H9Br2N3O
Molecular Weight359.02 g/mol
Exact Mass356.91
IUPAC NameN-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Br)cc2Br)n1
InChIInChI=1S/C11H9Br2N3O/c1-16-5-4-10(15-16)11(17)14-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,14,17)
InChIKeyQLLHSFQYLGAWQX-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

4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891679
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
CID 747516
N-(4-bromophenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16193919
4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 755380
N-(2-bromophenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 831954
N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 832004
4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892592
4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1014486
N-(4-bromophenyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
CID 1225284
N-{4-[acetyl(methyl)amino]phenyl}-1-ethyl-1H-pyrazole-3-carboxamide
CID 3238912
4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 3239332
N-(3-bromophenyl)-1H-pyrazole-3-carboxamide
CID 668389

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide (CID 1009261) is N-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(Br)cc2Br)n1.
What is the InChIKey of N-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is QLLHSFQYLGAWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O/c1-16-5-4-10(15-16)11(17)14-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,14,17).
What are the key properties of N-(2,4-dibromophenyl)-1-methylpyrazole-3-carboxamide?
N-(2,4-dibromophenyl)-1-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)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 1009261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).