2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid

C12H13N3O2 — CID 56994792

IUPAC2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid
SMILESCCc1cc(Nc2ccccc2C(=O)O)n[nH]1
InChIInChI=1S/C12H13N3O2/c1-2-8-7-11(15-14-8)13-10-6-4-3-5-9(10)12(16)17/h3-7H,2H2,1H3,(H,16,17)(H2,13,14,15)
InChIKeyVWTHZKYLDJCYFQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.41
Rot. Bonds4

About 2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid

2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid (PubChem CID 56994792) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid
PubChem CID56994792
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid
SMILESCCc1cc(Nc2ccccc2C(=O)O)n[nH]1
InChIInChI=1S/C12H13N3O2/c1-2-8-7-11(15-14-8)13-10-6-4-3-5-9(10)12(16)17/h3-7H,2H2,1H3,(H,16,17)(H2,13,14,15)
InChIKeyVWTHZKYLDJCYFQ-UHFFFAOYSA-N
XLogP2.41
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]benzoic acid
CID 67625460
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
2-[[2-(4-ethylanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194644
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 113229818
2-[[6-(2-carboxyanilino)-3-methylpyridazin-4-yl]amino]benzoic acid
CID 23883210
N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 47423364
N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide
CID 104619671
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide
CID 115609330
2-(2-ethoxyanilino)benzoic acid
CID 726510
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide
CID 48507728

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid?
The IUPAC name of 2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid (CID 56994792) is 2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid?
The canonical SMILES for 2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid is CCc1cc(Nc2ccccc2C(=O)O)n[nH]1.
What is the InChIKey of 2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid?
The InChIKey is VWTHZKYLDJCYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-8-7-11(15-14-8)13-10-6-4-3-5-9(10)12(16)17/h3-7H,2H2,1H3,(H,16,17)(H2,13,14,15).
What are the key properties of 2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid?
2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid has a molecular weight of 231.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid is sourced from PubChem (CID 56994792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).