methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate

C13H15N3O4 — CID 117443960

IUPACmethyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate
SMILESCOC(=O)c1cc(-c2cnn(C)c2N)c(O)cc1OC
InChIInChI=1S/C13H15N3O4/c1-16-12(14)9(6-15-16)7-4-8(13(18)20-3)11(19-2)5-10(7)17/h4-6,17H,14H2,1-3H3
InChIKeyRINDLVFNXFFIBY-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.17
Rot. Bonds3

About methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate

methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate (PubChem CID 117443960) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate
PubChem CID117443960
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Namemethyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate
SMILESCOC(=O)c1cc(-c2cnn(C)c2N)c(O)cc1OC
InChIInChI=1S/C13H15N3O4/c1-16-12(14)9(6-15-16)7-4-8(13(18)20-3)11(19-2)5-10(7)17/h4-6,17H,14H2,1-3H3
InChIKeyRINDLVFNXFFIBY-UHFFFAOYSA-N
XLogP1.17
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate?
The IUPAC name of methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate (CID 117443960) is methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate.
What is the SMILES notation for methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate?
The canonical SMILES for methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate is COC(=O)c1cc(-c2cnn(C)c2N)c(O)cc1OC.
What is the InChIKey of methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate?
The InChIKey is RINDLVFNXFFIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-16-12(14)9(6-15-16)7-4-8(13(18)20-3)11(19-2)5-10(7)17/h4-6,17H,14H2,1-3H3.
What are the key properties of methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate?
methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate has a molecular weight of 277.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate is sourced from PubChem (CID 117443960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).