2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate

C17H23N3O3 — CID 44573825

IUPAC2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate
SMILESCCOCCOC(=O)c1c(C(C)C)nn(-c2ccccc2)c1N
InChIInChI=1S/C17H23N3O3/c1-4-22-10-11-23-17(21)14-15(12(2)3)19-20(16(14)18)13-8-6-5-7-9-13/h5-9,12H,4,10-11,18H2,1-3H3
InChIKeyIOWOOJVKVRLCLI-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.77
Rot. Bonds7

About 2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate

2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate (PubChem CID 44573825) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate
PubChem CID44573825
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate
SMILESCCOCCOC(=O)c1c(C(C)C)nn(-c2ccccc2)c1N
InChIInChI=1S/C17H23N3O3/c1-4-22-10-11-23-17(21)14-15(12(2)3)19-20(16(14)18)13-8-6-5-7-9-13/h5-9,12H,4,10-11,18H2,1-3H3
InChIKeyIOWOOJVKVRLCLI-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.77
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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Related Compounds

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 656964
1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
CID 656966
ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate
CID 709310
ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate
CID 692341
3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 902166
3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 902164
Methyl 5-amino-3-methyl-1-phenylpyrazole-4-carboxylate
CID 5309817
2-Ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate
CID 44573824
2-Ethoxyethyl 5-amino-1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylate
CID 44573827
2-Ethoxyethyl 5-amino-1-(4-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate
CID 44573828
2-Ethoxyethyl 5-amino-3-ethyl-1-(4-nitrophenyl)pyrazole-4-carboxylate
CID 44573860
2-Ethoxyethyl 5-amino-1-(4-nitrophenyl)-3-propan-2-ylpyrazole-4-carboxylate
CID 44573933

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate?
The IUPAC name of 2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate (CID 44573825) is 2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate?
The canonical SMILES for 2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate is CCOCCOC(=O)c1c(C(C)C)nn(-c2ccccc2)c1N.
What is the InChIKey of 2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate?
The InChIKey is IOWOOJVKVRLCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-22-10-11-23-17(21)14-15(12(2)3)19-20(16(14)18)13-8-6-5-7-9-13/h5-9,12H,4,10-11,18H2,1-3H3.
What are the key properties of 2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate?
2-ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.77, 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-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 44573825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).