methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate

C14H17N3O3 — CID 116802590

IUPACmethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
SMILESCOC(=O)c1cc(Oc2cnn(C(C)C)c2)ccc1N
InChIInChI=1S/C14H17N3O3/c1-9(2)17-8-11(7-16-17)20-10-4-5-13(15)12(6-10)14(18)19-3/h4-9H,15H2,1-3H3
InChIKeyUIWFXNXAJNZWMU-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.63
Rot. Bonds4

About methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate

methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate (PubChem CID 116802590) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
PubChem CID116802590
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
SMILESCOC(=O)c1cc(Oc2cnn(C(C)C)c2)ccc1N
InChIInChI=1S/C14H17N3O3/c1-9(2)17-8-11(7-16-17)20-10-4-5-13(15)12(6-10)14(18)19-3/h4-9H,15H2,1-3H3
InChIKeyUIWFXNXAJNZWMU-UHFFFAOYSA-N
XLogP2.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.63
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

ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802601
methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate
CID 116802609
methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62058841
methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide
CID 116800594
methyl 2-amino-5-(3,4-dimethylphenoxy)benzoate
CID 63423501
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873
methyl 2-amino-5-methoxybenzoate
CID 13052275
4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800549
1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 114079106
methyl 2-amino-5-(2-methoxyphenoxy)benzoate
CID 61306841
methyl 2-amino-5-(1,1,1-trifluoropropan-2-yloxy)benzoate
CID 66276994

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate?
The IUPAC name of methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate (CID 116802590) is methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate.
What is the SMILES notation for methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate?
The canonical SMILES for methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate is COC(=O)c1cc(Oc2cnn(C(C)C)c2)ccc1N.
What is the InChIKey of methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate?
The InChIKey is UIWFXNXAJNZWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)17-8-11(7-16-17)20-10-4-5-13(15)12(6-10)14(18)19-3/h4-9H,15H2,1-3H3.
What are the key properties of methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate?
methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate has a molecular weight of 275.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate is sourced from PubChem (CID 116802590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).