3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate

C12H21N3O4 — CID 103404099

IUPAC3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(N)c(C(=O)OCCCOCCOC)n1
InChIInChI=1S/C12H21N3O4/c1-3-15-9-10(13)11(14-15)12(16)19-6-4-5-18-8-7-17-2/h9H,3-8,13H2,1-2H3
InChIKeyPXPGOCQTJHBAGH-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.70
Rot. Bonds9

About 3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate

3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate (PubChem CID 103404099) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate
PubChem CID103404099
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(N)c(C(=O)OCCCOCCOC)n1
InChIInChI=1S/C12H21N3O4/c1-3-15-9-10(13)11(14-15)12(16)19-6-4-5-18-8-7-17-2/h9H,3-8,13H2,1-2H3
InChIKeyPXPGOCQTJHBAGH-UHFFFAOYSA-N
XLogP0.70
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate (CID 103404099) is 3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate is CCn1cc(N)c(C(=O)OCCCOCCOC)n1.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate?
The InChIKey is PXPGOCQTJHBAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-15-9-10(13)11(14-15)12(16)19-6-4-5-18-8-7-17-2/h9H,3-8,13H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate?
3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 0.70, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate is sourced from PubChem (CID 103404099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).