5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid

C10H17N3O3 — CID 63757231

IUPAC5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCOCCNc1c(C(=O)O)c(C)nn1C
InChIInChI=1S/C10H17N3O3/c1-4-16-6-5-11-9-8(10(14)15)7(2)12-13(9)3/h11H,4-6H2,1-3H3,(H,14,15)
InChIKeyBROPNZMHIFAWES-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.88
Rot. Bonds6

About 5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid

5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 63757231) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID63757231
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCOCCNc1c(C(=O)O)c(C)nn1C
InChIInChI=1S/C10H17N3O3/c1-4-16-6-5-11-9-8(10(14)15)7(2)12-13(9)3/h11H,4-6H2,1-3H3,(H,14,15)
InChIKeyBROPNZMHIFAWES-UHFFFAOYSA-N
XLogP0.88
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid (CID 63757231) is 5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid is CCOCCNc1c(C(=O)O)c(C)nn1C.
What is the InChIKey of 5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is BROPNZMHIFAWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-16-6-5-11-9-8(10(14)15)7(2)12-13(9)3/h11H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid?
5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethylamino)-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 63757231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).