2-amino-5-(4-bromopyrazol-1-yl)benzoic acid

C10H8BrN3O2 — CID 61035552

IUPAC2-amino-5-(4-bromopyrazol-1-yl)benzoic acid
SMILESNc1ccc(-n2cc(Br)cn2)cc1C(=O)O
InChIInChI=1S/C10H8BrN3O2/c11-6-4-13-14(5-6)7-1-2-9(12)8(3-7)10(15)16/h1-5H,12H2,(H,15,16)
InChIKeyZULOMAJYWMQAHR-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.92
Rot. Bonds2

About 2-amino-5-(4-bromopyrazol-1-yl)benzoic acid

2-amino-5-(4-bromopyrazol-1-yl)benzoic acid (PubChem CID 61035552) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-amino-5-(4-bromopyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(4-bromopyrazol-1-yl)benzoic acid
PubChem CID61035552
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name2-amino-5-(4-bromopyrazol-1-yl)benzoic acid
SMILESNc1ccc(-n2cc(Br)cn2)cc1C(=O)O
InChIInChI=1S/C10H8BrN3O2/c11-6-4-13-14(5-6)7-1-2-9(12)8(3-7)10(15)16/h1-5H,12H2,(H,15,16)
InChIKeyZULOMAJYWMQAHR-UHFFFAOYSA-N
XLogP1.92
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-5-(4-bromopyrazol-1-yl)benzoate
CID 61312078
2-amino-5-(4-bromopyrazol-1-yl)phenol
CID 178025198
2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid
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2-amino-2-[4-(4-bromopyrazol-1-yl)phenyl]acetic acid
CID 117476951
4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide
CID 54910433
2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid
CID 107282391
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
4-bromo-1-(3,4-difluorophenyl)pyrazole
CID 66521494
3-[4-(4-bromopyrazol-1-yl)-2-methylphenyl]prop-2-enoic acid
CID 76936594
2-(4-bromopyrazol-1-yl)quinoline-4-carboxylic acid
CID 54909506
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
[4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate
CID 172801796

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromopyrazol-1-yl)benzoic acid?
The IUPAC name of 2-amino-5-(4-bromopyrazol-1-yl)benzoic acid (CID 61035552) is 2-amino-5-(4-bromopyrazol-1-yl)benzoic acid.
What is the SMILES notation for 2-amino-5-(4-bromopyrazol-1-yl)benzoic acid?
The canonical SMILES for 2-amino-5-(4-bromopyrazol-1-yl)benzoic acid is Nc1ccc(-n2cc(Br)cn2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(4-bromopyrazol-1-yl)benzoic acid?
The InChIKey is ZULOMAJYWMQAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c11-6-4-13-14(5-6)7-1-2-9(12)8(3-7)10(15)16/h1-5H,12H2,(H,15,16).
What are the key properties of 2-amino-5-(4-bromopyrazol-1-yl)benzoic acid?
2-amino-5-(4-bromopyrazol-1-yl)benzoic acid has a molecular weight of 282.10 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-bromopyrazol-1-yl)benzoic acid is sourced from PubChem (CID 61035552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).