ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate

C14H17N3O3 — CID 81499102

IUPACethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCOc2cccc(N)c2)c1
InChIInChI=1S/C14H17N3O3/c1-2-19-14(18)11-9-16-17(10-11)6-7-20-13-5-3-4-12(15)8-13/h3-5,8-10H,2,6-7,15H2,1H3
InChIKeyBOFYIZUPFUEVBT-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.72
Rot. Bonds6

About ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate

ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate (PubChem CID 81499102) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate
PubChem CID81499102
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCOc2cccc(N)c2)c1
InChIInChI=1S/C14H17N3O3/c1-2-19-14(18)11-9-16-17(10-11)6-7-20-13-5-3-4-12(15)8-13/h3-5,8-10H,2,6-7,15H2,1H3
InChIKeyBOFYIZUPFUEVBT-UHFFFAOYSA-N
XLogP1.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.72
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 1-[2-(4-aminophenoxy)ethyl]pyrazole-4-carboxylate
CID 81498880
ethyl 1-[2-(3-aminoanilino)-2-oxoethyl]pyrazole-4-carboxylate
CID 81494606
ethyl 5-amino-1-[2-(3-aminophenoxy)ethyl]triazole-4-carboxylate
CID 82222752
1-[1-[2-(3-bromophenoxy)ethyl]pyrazol-4-yl]ethanone
CID 62728540
ethyl 1-[[4-(3-propoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 58127597
ethyl 1-[(3-amino-2-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 107347740
ethyl 1-(3-methylbut-3-enyl)pyrazole-4-carboxylate
CID 114472889
ethyl 1-(2-cyanoethyl)pyrazole-4-carboxylate
CID 71756324
ethyl 1-[(2-aminophenyl)methyl]pyrazole-4-carboxylate
CID 81498202
ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate
CID 114525727
1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455
ethyl 1-[(2-amino-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 81498624

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate (CID 81499102) is ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCOc2cccc(N)c2)c1.
What is the InChIKey of ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate?
The InChIKey is BOFYIZUPFUEVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-19-14(18)11-9-16-17(10-11)6-7-20-13-5-3-4-12(15)8-13/h3-5,8-10H,2,6-7,15H2,1H3.
What are the key properties of ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate?
ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 81499102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).