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

C14H16FN3O3 — CID 81333635

IUPACethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate
SMILESCCOC(=O)c1cc(Oc2cc(C)nn2C)c(F)cc1N
InChIInChI=1S/C14H16FN3O3/c1-4-20-14(19)9-6-12(10(15)7-11(9)16)21-13-5-8(2)17-18(13)3/h5-7H,4,16H2,1-3H3
InChIKeyNHIXHSOUUMNVSH-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.42
Rot. Bonds4

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

ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate (PubChem CID 81333635) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate
PubChem CID81333635
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Nameethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate
SMILESCCOC(=O)c1cc(Oc2cc(C)nn2C)c(F)cc1N
InChIInChI=1S/C14H16FN3O3/c1-4-20-14(19)9-6-12(10(15)7-11(9)16)21-13-5-8(2)17-18(13)3/h5-7H,4,16H2,1-3H3
InChIKeyNHIXHSOUUMNVSH-UHFFFAOYSA-N
XLogP2.42
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.42
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-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
CID 81345916
ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate
CID 81346379
ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62059327
4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81346868
ethyl 2-amino-5-(2,2-difluoroethoxy)-4-fluorobenzoate
CID 82006440
3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346768
ethyl 2-amino-4-fluoro-5-(1,1,1-trifluoropropan-2-yloxy)benzoate
CID 66277853
ethyl 2-amino-4-fluoro-5-(3-morpholin-4-ylpropoxy)benzoate
CID 59198226
1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone
CID 104613349
4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide
CID 81342274
ethyl 2-amino-4-fluoro-5-(4-fluorophenyl)sulfanylbenzoate
CID 63423428
methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate
CID 81341337

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate?
The IUPAC name of ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate (CID 81333635) is ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate.
What is the SMILES notation for ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate?
The canonical SMILES for ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate is CCOC(=O)c1cc(Oc2cc(C)nn2C)c(F)cc1N.
What is the InChIKey of ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate?
The InChIKey is NHIXHSOUUMNVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-4-20-14(19)9-6-12(10(15)7-11(9)16)21-13-5-8(2)17-18(13)3/h5-7H,4,16H2,1-3H3.
What are the key properties of ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate?
ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate has a molecular weight of 293.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate is sourced from PubChem (CID 81333635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).