N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H9Br2N3O — CID 107602580

IUPACN-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C11H9Br2N3O/c1-6-7(5-14-16-6)11(17)15-10-8(12)3-2-4-9(10)13/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyUYKUHOYPWRPZEU-UHFFFAOYSA-N
MW359.02 g/mol
LogP3.50
Rot. Bonds2

About N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 107602580) has the molecular formula C11H9Br2N3O and a molecular weight of 359.02 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID107602580
Molecular FormulaC11H9Br2N3O
Molecular Weight359.02 g/mol
Exact Mass356.91
IUPAC NameN-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C11H9Br2N3O/c1-6-7(5-14-16-6)11(17)15-10-8(12)3-2-4-9(10)13/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyUYKUHOYPWRPZEU-UHFFFAOYSA-N
XLogP3.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.02
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 107046486
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CID 103754876
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107792769
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-[2-(bromomethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 114309775
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 103990810
3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 106547271
N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83088170
N-(2,6-dibromophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 107603475

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 107602580) is N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is UYKUHOYPWRPZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O/c1-6-7(5-14-16-6)11(17)15-10-8(12)3-2-4-9(10)13/h2-5H,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 359.02 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107602580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).