2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid

C11H7BrN6O2 — CID 16767448

IUPAC2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cnnn2)cc1-n1cc(Br)cn1
InChIInChI=1S/C11H7BrN6O2/c12-7-4-14-17(5-7)10-3-8(18-6-13-15-16-18)1-2-9(10)11(19)20/h1-6H,(H,19,20)
InChIKeyLFYMQZOAEBPKFN-UHFFFAOYSA-N
MW335.12 g/mol
LogP1.31
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid

2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid (PubChem CID 16767448) has the molecular formula C11H7BrN6O2 and a molecular weight of 335.12 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid
PubChem CID16767448
Molecular FormulaC11H7BrN6O2
Molecular Weight335.12 g/mol
Exact Mass333.98
IUPAC Name2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cnnn2)cc1-n1cc(Br)cn1
InChIInChI=1S/C11H7BrN6O2/c12-7-4-14-17(5-7)10-3-8(18-6-13-15-16-18)1-2-9(10)11(19)20/h1-6H,(H,19,20)
InChIKeyLFYMQZOAEBPKFN-UHFFFAOYSA-N
XLogP1.31
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic 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

4-(4-bromo-1H-pyrazol-1-yl)benzoic acid
CID 1506796
2-Amino-4-(1H-pyrazol-1-YL)benzoic acid
CID 53406505
4-(4-Oxo-4,5-dihydropyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid
CID 137035318
2-(1H-pyrazol-1-yl)-4-(1H-tetrazol-1-yl)benzoic acid
CID 16767338
4-(2,3-Dihydrotetrazol-1-yl)-2-pyrazol-1-ylbenzoic acid
CID 17723738
(4-Pyrazol-1-ylphenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 27028135
2-Pyrazol-1-yl-4-(1,2,4-triazol-4-yl)benzoic acid
CID 28643076
1-Ethyl-3-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxylic acid
CID 61265503
2-(4-Bromopyrazol-1-yl)-4-nitrobenzoic acid
CID 64047230
4-Amino-2-(4-bromopyrazol-1-yl)benzoic acid
CID 64050052
4-Amino-2-[(1-methylpyrazol-3-yl)amino]benzoic acid
CID 79778407

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid (CID 16767448) is 2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid is O=C(O)c1ccc(-n2cnnn2)cc1-n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid?
The InChIKey is LFYMQZOAEBPKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN6O2/c12-7-4-14-17(5-7)10-3-8(18-6-13-15-16-18)1-2-9(10)11(19)20/h1-6H,(H,19,20).
What are the key properties of 2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid?
2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid has a molecular weight of 335.12 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid is sourced from PubChem (CID 16767448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).