2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid

C14H15BrN2O2 — CID 84605486

IUPAC2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid
SMILESCc1ccc(C)c(-c2nn(C)c(CC(=O)O)c2Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-8-4-5-9(2)10(6-8)14-13(15)11(7-12(18)19)17(3)16-14/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyNZIXUQGSQQBHKL-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.09
Rot. Bonds3

About 2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid

2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid (PubChem CID 84605486) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid
PubChem CID84605486
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid
SMILESCc1ccc(C)c(-c2nn(C)c(CC(=O)O)c2Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-8-4-5-9(2)10(6-8)14-13(15)11(7-12(18)19)17(3)16-14/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyNZIXUQGSQQBHKL-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141377
2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82294206
2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 2236513
2-[5-bromo-2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84606694
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426
4-bromo-1-methyl-3-(2,4,5-trimethylphenyl)pyrazole-5-carboxylic acid
CID 116858427
2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid
CID 84605488
2-[2-(4-bromoanilino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1339805
3-[4-bromo-5-(2-methoxyphenyl)-2-methylpyrazol-3-yl]propanoic acid
CID 84611906
2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001558
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine
CID 79485518

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid?
The IUPAC name of 2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid (CID 84605486) is 2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid is Cc1ccc(C)c(-c2nn(C)c(CC(=O)O)c2Br)c1.
What is the InChIKey of 2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid?
The InChIKey is NZIXUQGSQQBHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-8-4-5-9(2)10(6-8)14-13(15)11(7-12(18)19)17(3)16-14/h4-6H,7H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid?
2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid has a molecular weight of 323.19 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid is sourced from PubChem (CID 84605486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).