ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate

C14H17N3O3 — CID 81346379

IUPACethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate
SMILESCCOC(=O)c1ccc(Oc2cc(C)nn2C)c(N)c1
InChIInChI=1S/C14H17N3O3/c1-4-19-14(18)10-5-6-12(11(15)8-10)20-13-7-9(2)16-17(13)3/h5-8H,4,15H2,1-3H3
InChIKeyHKYNBNVLVYXLCM-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.28
Rot. Bonds4

About ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate

ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate (PubChem CID 81346379) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate.

Molecular Properties

Compound Nameethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate
PubChem CID81346379
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate
SMILESCCOC(=O)c1ccc(Oc2cc(C)nn2C)c(N)c1
InChIInChI=1S/C14H17N3O3/c1-4-19-14(18)10-5-6-12(11(15)8-10)20-13-7-9(2)16-17(13)3/h5-8H,4,15H2,1-3H3
InChIKeyHKYNBNVLVYXLCM-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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

3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346768
ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate
CID 81333635
ethyl 3-amino-4-(3,5-dimethylphenoxy)benzoate
CID 63423547
4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81346868
ethyl 4-amino-3-(1,3,5-trimethylpyrazol-4-yl)oxybenzoate
CID 82778841
ethyl 3-amino-4-prop-2-enoxybenzoate
CID 82057340
ethyl 3-amino-4-(2-ethoxyethoxy)benzoate
CID 61306324
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
CID 81345916
(4,5-dimethyl-1,2,4-triazol-3-yl)methyl 3-amino-4-ethoxybenzoate
CID 61323181
ethyl 3-amino-4-(2,2-difluoroethoxy)benzoate
CID 82006549
3-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81345906
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346605

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate?
The IUPAC name of ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate (CID 81346379) is ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate.
What is the SMILES notation for ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate?
The canonical SMILES for ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate is CCOC(=O)c1ccc(Oc2cc(C)nn2C)c(N)c1.
What is the InChIKey of ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate?
The InChIKey is HKYNBNVLVYXLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-19-14(18)10-5-6-12(11(15)8-10)20-13-7-9(2)16-17(13)3/h5-8H,4,15H2,1-3H3.
What are the key properties of ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate?
ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate has a molecular weight of 275.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate is sourced from PubChem (CID 81346379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).