5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid

C13H15N3O3 — CID 19624676

IUPAC5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid
SMILESCCn1nccc1CNc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C13H15N3O3/c1-2-16-10(5-6-15-16)8-14-9-3-4-12(17)11(7-9)13(18)19/h3-7,14,17H,2,8H2,1H3,(H,18,19)
InChIKeyUHNYIPMENNMGDO-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.92
Rot. Bonds5

About 5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid

5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid (PubChem CID 19624676) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid
PubChem CID19624676
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid
SMILESCCn1nccc1CNc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C13H15N3O3/c1-2-16-10(5-6-15-16)8-14-9-3-4-12(17)11(7-9)13(18)19/h3-7,14,17H,2,8H2,1H3,(H,18,19)
InChIKeyUHNYIPMENNMGDO-UHFFFAOYSA-N
XLogP1.92
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]benzoic acid
CID 166267775
N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide
CID 115761962
3-[(2-ethylpyrazol-3-yl)methylamino]phenol
CID 114554894
2-hydroxy-4-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624610
4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555070
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline
CID 115777063
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
N-[4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115761980
2-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 19624669
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline
CID 115762717
N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
CID 115762749

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid (CID 19624676) is 5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid is CCn1nccc1CNc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid?
The InChIKey is UHNYIPMENNMGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-16-10(5-6-15-16)8-14-9-3-4-12(17)11(7-9)13(18)19/h3-7,14,17H,2,8H2,1H3,(H,18,19).
What are the key properties of 5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid?
5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 19624676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).