2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate

C10H17N3O3 — CID 66124995

IUPAC2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCCOCCOC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C10H17N3O3/c1-4-15-5-6-16-10(14)9-8(11)7(2)12-13(9)3/h4-6,11H2,1-3H3
InChIKeyVPYTXRRJFXJTHI-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.50
Rot. Bonds5

About 2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate

2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 66124995) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
PubChem CID66124995
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCCOCCOC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C10H17N3O3/c1-4-15-5-6-16-10(14)9-8(11)7(2)12-13(9)3/h4-6,11H2,1-3H3
InChIKeyVPYTXRRJFXJTHI-UHFFFAOYSA-N
XLogP0.50
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.50
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 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of 2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate (CID 66124995) is 2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for 2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate is CCOCCOC(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is VPYTXRRJFXJTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-15-5-6-16-10(14)9-8(11)7(2)12-13(9)3/h4-6,11H2,1-3H3.
What are the key properties of 2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 66124995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).