2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate

C16H21N3O3 — CID 44573824

IUPAC2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate
SMILESCCOCCOC(=O)c1c(CC)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H21N3O3/c1-3-13-14(16(20)22-11-10-21-4-2)15(17)19(18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11,17H2,1-2H3
InChIKeyLAZJWMJRTKCDJT-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.21
Rot. Bonds7

About 2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate

2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate (PubChem CID 44573824) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate
PubChem CID44573824
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate
SMILESCCOCCOC(=O)c1c(CC)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H21N3O3/c1-3-13-14(16(20)22-11-10-21-4-2)15(17)19(18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11,17H2,1-2H3
InChIKeyLAZJWMJRTKCDJT-UHFFFAOYSA-N
XLogP2.21
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of 2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate (CID 44573824) is 2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for 2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate is CCOCCOC(=O)c1c(CC)nn(-c2ccccc2)c1N.
What is the InChIKey of 2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is LAZJWMJRTKCDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-13-14(16(20)22-11-10-21-4-2)15(17)19(18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11,17H2,1-2H3.
What are the key properties of 2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate?
2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 44573824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).