2-[(2-ethylpyrazol-3-yl)amino]benzoic acid

C12H13N3O2 — CID 15427468

IUPAC2-[(2-ethylpyrazol-3-yl)amino]benzoic acid
SMILESCCn1nccc1Nc1ccccc1C(=O)O
InChIInChI=1S/C12H13N3O2/c1-2-15-11(7-8-13-15)14-10-6-4-3-5-9(10)12(16)17/h3-8,14H,2H2,1H3,(H,16,17)
InChIKeyACTKAZUTVUVIGV-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.34
Rot. Bonds4

About 2-[(2-ethylpyrazol-3-yl)amino]benzoic acid

2-[(2-ethylpyrazol-3-yl)amino]benzoic acid (PubChem CID 15427468) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[(2-ethylpyrazol-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-ethylpyrazol-3-yl)amino]benzoic acid
PubChem CID15427468
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-[(2-ethylpyrazol-3-yl)amino]benzoic acid
SMILESCCn1nccc1Nc1ccccc1C(=O)O
InChIInChI=1S/C12H13N3O2/c1-2-15-11(7-8-13-15)14-10-6-4-3-5-9(10)12(16)17/h3-8,14H,2H2,1H3,(H,16,17)
InChIKeyACTKAZUTVUVIGV-UHFFFAOYSA-N
XLogP2.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpyrazol-3-yl)amino]benzoic acid?
The IUPAC name of 2-[(2-ethylpyrazol-3-yl)amino]benzoic acid (CID 15427468) is 2-[(2-ethylpyrazol-3-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-ethylpyrazol-3-yl)amino]benzoic acid?
The canonical SMILES for 2-[(2-ethylpyrazol-3-yl)amino]benzoic acid is CCn1nccc1Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-ethylpyrazol-3-yl)amino]benzoic acid?
The InChIKey is ACTKAZUTVUVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-15-11(7-8-13-15)14-10-6-4-3-5-9(10)12(16)17/h3-8,14H,2H2,1H3,(H,16,17).
What are the key properties of 2-[(2-ethylpyrazol-3-yl)amino]benzoic acid?
2-[(2-ethylpyrazol-3-yl)amino]benzoic acid has a molecular weight of 231.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpyrazol-3-yl)amino]benzoic acid is sourced from PubChem (CID 15427468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).