2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate

C14H17N3O3 — CID 103013489

IUPAC2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate
SMILESCOc1ccc(N)cc1C(=O)OCCc1ccnn1C
InChIInChI=1S/C14H17N3O3/c1-17-11(5-7-16-17)6-8-20-14(18)12-9-10(15)3-4-13(12)19-2/h3-5,7,9H,6,8,15H2,1-2H3
InChIKeyWCJUYHVVDJWCRI-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.41
Rot. Bonds5

About 2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate

2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate (PubChem CID 103013489) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate
PubChem CID103013489
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate
SMILESCOc1ccc(N)cc1C(=O)OCCc1ccnn1C
InChIInChI=1S/C14H17N3O3/c1-17-11(5-7-16-17)6-8-20-14(18)12-9-10(15)3-4-13(12)19-2/h3-5,7,9H,6,8,15H2,1-2H3
InChIKeyWCJUYHVVDJWCRI-UHFFFAOYSA-N
XLogP1.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.41
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

2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-chlorobenzoate
CID 103013522
5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004068
5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304703
methyl 4-amino-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoate
CID 106955136
2-(2-methylpyrazol-3-yl)ethyl 2-amino-4,5-difluorobenzoate
CID 103013618
2-(2-methylpyrazol-3-yl)ethyl 2-amino-4-fluorobenzoate
CID 103013686
2-(2-methylpyrazol-3-yl)ethyl 2-amino-4-chlorobenzoate
CID 103013544
nonyl 5-amino-2-methoxybenzoate
CID 63450276
2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate
CID 112588565
ethyl 5-amino-2-methoxybenzoate
CID 22180184
3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]aniline
CID 103020512
3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethylsulfonyl]aniline
CID 103020516

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate?
The IUPAC name of 2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate (CID 103013489) is 2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate is COc1ccc(N)cc1C(=O)OCCc1ccnn1C.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate?
The InChIKey is WCJUYHVVDJWCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-11(5-7-16-17)6-8-20-14(18)12-9-10(15)3-4-13(12)19-2/h3-5,7,9H,6,8,15H2,1-2H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate?
2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate has a molecular weight of 275.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-methoxybenzoate is sourced from PubChem (CID 103013489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).