2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid

C12H13N3O3 — CID 81346605

IUPAC2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
SMILESCc1cc(Oc2ccc(N)c(C(=O)O)c2)n(C)n1
InChIInChI=1S/C12H13N3O3/c1-7-5-11(15(2)14-7)18-8-3-4-10(13)9(6-8)12(16)17/h3-6H,13H2,1-2H3,(H,16,17)
InChIKeyCRRPDIQDXSEAFT-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.80
Rot. Bonds3

About 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid

2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid (PubChem CID 81346605) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
PubChem CID81346605
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
SMILESCc1cc(Oc2ccc(N)c(C(=O)O)c2)n(C)n1
InChIInChI=1S/C12H13N3O3/c1-7-5-11(15(2)14-7)18-8-3-4-10(13)9(6-8)12(16)17/h3-6H,13H2,1-2H3,(H,16,17)
InChIKeyCRRPDIQDXSEAFT-UHFFFAOYSA-N
XLogP1.80
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone
CID 104613349
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
CID 81345916
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboxylic acid
CID 114195702
5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carboxylic acid
CID 115491170
3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346768
methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate
CID 81341337
2-(2,5-dimethylpyrazol-3-yl)oxypyridine-3-carboxylic acid
CID 81342189
2-amino-5-(4-chloro-3-methylphenoxy)benzoic acid
CID 60986913
2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81342191
4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81346371
2-amino-5-(4-bromo-3-methylphenoxy)benzoic acid
CID 83134573
(1S)-1-[2-bromo-4-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine
CID 114069465

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid?
The IUPAC name of 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid (CID 81346605) is 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid.
What is the SMILES notation for 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid?
The canonical SMILES for 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid is Cc1cc(Oc2ccc(N)c(C(=O)O)c2)n(C)n1.
What is the InChIKey of 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid?
The InChIKey is CRRPDIQDXSEAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-5-11(15(2)14-7)18-8-3-4-10(13)9(6-8)12(16)17/h3-6H,13H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid?
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid is sourced from PubChem (CID 81346605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).