methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate

C15H19N3O3 — CID 106955798

IUPACmethyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate
SMILESCCc1cc(COc2ccc(N)cc2C(=O)OC)n(C)n1
InChIInChI=1S/C15H19N3O3/c1-4-11-8-12(18(2)17-11)9-21-14-6-5-10(16)7-13(14)15(19)20-3/h5-8H,4,9,16H2,1-3H3
InChIKeyKPHDEGKPQISRKK-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.93
Rot. Bonds5

About methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate

methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate (PubChem CID 106955798) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate
PubChem CID106955798
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate
SMILESCCc1cc(COc2ccc(N)cc2C(=O)OC)n(C)n1
InChIInChI=1S/C15H19N3O3/c1-4-11-8-12(18(2)17-11)9-21-14-6-5-10(16)7-13(14)15(19)20-3/h5-8H,4,9,16H2,1-3H3
InChIKeyKPHDEGKPQISRKK-UHFFFAOYSA-N
XLogP1.93
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.93
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 5-amino-2-(methoxymethoxy)benzoate
CID 106955744
3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid
CID 82826423
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
methyl 5-amino-2-[(4-bromophenyl)methoxy]benzoate
CID 82824196
methyl 5-amino-2-heptoxybenzoate
CID 61306699
methyl 5-amino-2-(2-methylpropoxy)benzoate
CID 61307222
methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoate
CID 107464499
N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 77125349
methyl 5-amino-2-(2-methylprop-2-enoxy)benzoate
CID 89468662
methyl 5-amino-2-(3-ethylsulfonylpropoxy)benzoate
CID 106955849
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
[3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150480

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate?
The IUPAC name of methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate (CID 106955798) is methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate.
What is the SMILES notation for methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate?
The canonical SMILES for methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate is CCc1cc(COc2ccc(N)cc2C(=O)OC)n(C)n1.
What is the InChIKey of methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate?
The InChIKey is KPHDEGKPQISRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-11-8-12(18(2)17-11)9-21-14-6-5-10(16)7-13(14)15(19)20-3/h5-8H,4,9,16H2,1-3H3.
What are the key properties of methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate?
methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate has a molecular weight of 289.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate is sourced from PubChem (CID 106955798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).