3-(4-bromopyrazol-1-yl)benzoic acid

C10H7BrN2O2 — CID 16770343

IUPAC3-(4-bromopyrazol-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2cc(Br)cn2)c1
InChIInChI=1S/C10H7BrN2O2/c11-8-5-12-13(6-8)9-3-1-2-7(4-9)10(14)15/h1-6H,(H,14,15)
InChIKeyYTQYZCOYYUQUKG-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.33
Rot. Bonds2

About 3-(4-bromopyrazol-1-yl)benzoic acid

3-(4-bromopyrazol-1-yl)benzoic acid (PubChem CID 16770343) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)benzoic acid
PubChem CID16770343
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name3-(4-bromopyrazol-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2cc(Br)cn2)c1
InChIInChI=1S/C10H7BrN2O2/c11-8-5-12-13(6-8)9-3-1-2-7(4-9)10(14)15/h1-6H,(H,14,15)
InChIKeyYTQYZCOYYUQUKG-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)benzoic acid?
The IUPAC name of 3-(4-bromopyrazol-1-yl)benzoic acid (CID 16770343) is 3-(4-bromopyrazol-1-yl)benzoic acid.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)benzoic acid?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)benzoic acid is O=C(O)c1cccc(-n2cc(Br)cn2)c1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)benzoic acid?
The InChIKey is YTQYZCOYYUQUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-8-5-12-13(6-8)9-3-1-2-7(4-9)10(14)15/h1-6H,(H,14,15).
What are the key properties of 3-(4-bromopyrazol-1-yl)benzoic acid?
3-(4-bromopyrazol-1-yl)benzoic acid has a molecular weight of 267.08 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)benzoic acid is sourced from PubChem (CID 16770343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).