methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate

C14H17N3O3 — CID 81341337

IUPACmethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate
SMILESCOC(=O)c1cc(Oc2cc(C)nn2C)cc(C)c1N
InChIInChI=1S/C14H17N3O3/c1-8-5-10(7-11(13(8)15)14(18)19-4)20-12-6-9(2)16-17(12)3/h5-7H,15H2,1-4H3
InChIKeyHQAKNJLBJXINSX-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.20
Rot. Bonds3

About methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate

methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate (PubChem CID 81341337) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate
PubChem CID81341337
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate
SMILESCOC(=O)c1cc(Oc2cc(C)nn2C)cc(C)c1N
InChIInChI=1S/C14H17N3O3/c1-8-5-10(7-11(13(8)15)14(18)19-4)20-12-6-9(2)16-17(12)3/h5-7H,15H2,1-4H3
InChIKeyHQAKNJLBJXINSX-UHFFFAOYSA-N
XLogP2.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-2-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboxylate
CID 81346232
1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone
CID 104613349
methyl 2-amino-3,5-dimethylbenzoate
CID 10702497
methyl 2-amino-5-iodo-3-methylbenzoate
CID 121230653
5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carboxylic acid
CID 115491170
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
CID 81345916
ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate
CID 81333635
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboxylic acid
CID 114195702
methyl 2-amino-3-methyl-5-[(1-methylpyrazol-3-yl)methylamino]benzoate
CID 82882452
5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide
CID 107198052
methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate
CID 141175690

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate?
The IUPAC name of methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate (CID 81341337) is methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate.
What is the SMILES notation for methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate?
The canonical SMILES for methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate is COC(=O)c1cc(Oc2cc(C)nn2C)cc(C)c1N.
What is the InChIKey of methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate?
The InChIKey is HQAKNJLBJXINSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-5-10(7-11(13(8)15)14(18)19-4)20-12-6-9(2)16-17(12)3/h5-7H,15H2,1-4H3.
What are the key properties of methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate?
methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate has a molecular weight of 275.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate is sourced from PubChem (CID 81341337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).