2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid

C14H15BrN2O2 — CID 84605488

IUPAC2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid
SMILESCc1ccc(Br)cc1-c1c(CC(=O)O)nn(C)c1C
InChIInChI=1S/C14H15BrN2O2/c1-8-4-5-10(15)6-11(8)14-9(2)17(3)16-12(14)7-13(18)19/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyBYCPBPILSVDSKQ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.09
Rot. Bonds3

About 2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid

2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid (PubChem CID 84605488) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid
PubChem CID84605488
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid
SMILESCc1ccc(Br)cc1-c1c(CC(=O)O)nn(C)c1C
InChIInChI=1S/C14H15BrN2O2/c1-8-4-5-10(15)6-11(8)14-9(2)17(3)16-12(14)7-13(18)19/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyBYCPBPILSVDSKQ-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

Analyze 2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid?
The IUPAC name of 2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid (CID 84605488) is 2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid is Cc1ccc(Br)cc1-c1c(CC(=O)O)nn(C)c1C.
What is the InChIKey of 2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid?
The InChIKey is BYCPBPILSVDSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-8-4-5-10(15)6-11(8)14-9(2)17(3)16-12(14)7-13(18)19/h4-6H,7H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid?
2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-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-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid is sourced from PubChem (CID 84605488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).