2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate

C11H19N3O3 — CID 65362690

IUPAC2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate
SMILESCCCOCCOC(=O)c1nn(CC)cc1N
InChIInChI=1S/C11H19N3O3/c1-3-5-16-6-7-17-11(15)10-9(12)8-14(4-2)13-10/h8H,3-7,12H2,1-2H3
InChIKeyFHWNYINAIGCRDO-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.07
Rot. Bonds7

About 2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate

2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate (PubChem CID 65362690) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate.

Molecular Properties

Compound Name2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate
PubChem CID65362690
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate
SMILESCCCOCCOC(=O)c1nn(CC)cc1N
InChIInChI=1S/C11H19N3O3/c1-3-5-16-6-7-17-11(15)10-9(12)8-14(4-2)13-10/h8H,3-7,12H2,1-2H3
InChIKeyFHWNYINAIGCRDO-UHFFFAOYSA-N
XLogP1.07
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.07
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-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate?
The IUPAC name of 2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate (CID 65362690) is 2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate.
What is the SMILES notation for 2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate?
The canonical SMILES for 2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate is CCCOCCOC(=O)c1nn(CC)cc1N.
What is the InChIKey of 2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate?
The InChIKey is FHWNYINAIGCRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-5-16-6-7-17-11(15)10-9(12)8-14(4-2)13-10/h8H,3-7,12H2,1-2H3.
What are the key properties of 2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate?
2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate is sourced from PubChem (CID 65362690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).