1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid

C11H8Br2N2O2 — CID 105421500

IUPAC1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1ccc(Br)cc1Br
InChIInChI=1S/C11H8Br2N2O2/c1-6-4-9(11(16)17)14-15(6)10-3-2-7(12)5-8(10)13/h2-5H,1H3,(H,16,17)
InChIKeyGOBKPQSMPIYGSK-UHFFFAOYSA-N
MW360.01 g/mol
LogP3.40
Rot. Bonds2

About 1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid

1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 105421500) has the molecular formula C11H8Br2N2O2 and a molecular weight of 360.01 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid
PubChem CID105421500
Molecular FormulaC11H8Br2N2O2
Molecular Weight360.01 g/mol
Exact Mass357.90
IUPAC Name1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1ccc(Br)cc1Br
InChIInChI=1S/C11H8Br2N2O2/c1-6-4-9(11(16)17)14-15(6)10-3-2-7(12)5-8(10)13/h2-5H,1H3,(H,16,17)
InChIKeyGOBKPQSMPIYGSK-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.01
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82094448
1-(4-bromo-3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 107613689
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
1-(4-bromo-3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 107575693
1-(4-bromo-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 81287980
1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78884016
1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421480
1-(2-bromo-4-iodophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 114260944
1-(4-bromo-2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363464
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421466
8-bromo-4,5-dihydropyrazolo[5,1-d][1,5]benzoxazepine-2-carboxylic acid
CID 86652301

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid (CID 105421500) is 1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1-c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is GOBKPQSMPIYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O2/c1-6-4-9(11(16)17)14-15(6)10-3-2-7(12)5-8(10)13/h2-5H,1H3,(H,16,17).
What are the key properties of 1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid?
1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 360.01 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 105421500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).