3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

C11H9BrN2O3 — CID 117478380

IUPAC3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(Br)ccc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H9BrN2O3/c1-17-10-4-6(12)2-3-7(10)8-5-9(11(15)16)14-13-8/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyCUURDINORBMMJN-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.55
Rot. Bonds3

About 3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117478380) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is 3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117478380
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(Br)ccc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H9BrN2O3/c1-17-10-4-6(12)2-3-7(10)8-5-9(11(15)16)14-13-8/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyCUURDINORBMMJN-UHFFFAOYSA-N
XLogP2.55
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
N-(4-bromo-2-methylphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920344
3-(3-bromo-2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495825
3-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117449673
3-(3-methoxy-2-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117477464
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
3-(3-bromo-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495839
3-(2-fluoro-3,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419215
3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135658624
3-(2,3-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117474782
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 117478380) is 3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is COc1cc(Br)ccc1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is CUURDINORBMMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c1-17-10-4-6(12)2-3-7(10)8-5-9(11(15)16)14-13-8/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 297.11 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117478380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).