4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid

C14H15N3O4 — CID 60827241

IUPAC4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid
SMILESCc1cc(C)n(CC(=O)Nc2ccc(C(=O)O)cc2O)n1
InChIInChI=1S/C14H15N3O4/c1-8-5-9(2)17(16-8)7-13(19)15-11-4-3-10(14(20)21)6-12(11)18/h3-6,18H,7H2,1-2H3,(H,15,19)(H,20,21)
InChIKeyCVUNOHAJDNGVOS-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.54
Rot. Bonds4

About 4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid

4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid (PubChem CID 60827241) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid
PubChem CID60827241
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid
SMILESCc1cc(C)n(CC(=O)Nc2ccc(C(=O)O)cc2O)n1
InChIInChI=1S/C14H15N3O4/c1-8-5-9(2)17(16-8)7-13(19)15-11-4-3-10(14(20)21)6-12(11)18/h3-6,18H,7H2,1-2H3,(H,15,19)(H,20,21)
InChIKeyCVUNOHAJDNGVOS-UHFFFAOYSA-N
XLogP1.54
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740437
N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110690077
3-hydroxy-4-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 60826514
N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43376162
3-chloro-5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 81369984
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
N-(5-bromo-2-methylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43806572
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 103891137
5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43648240
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid (CID 60827241) is 4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid is Cc1cc(C)n(CC(=O)Nc2ccc(C(=O)O)cc2O)n1.
What is the InChIKey of 4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid?
The InChIKey is CVUNOHAJDNGVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8-5-9(2)17(16-8)7-13(19)15-11-4-3-10(14(20)21)6-12(11)18/h3-6,18H,7H2,1-2H3,(H,15,19)(H,20,21).
What are the key properties of 4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid?
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid has a molecular weight of 289.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 60827241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).