5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid

C11H19N3O3 — CID 81056227

IUPAC5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCOCCN(C)c1c(C(=O)O)c(C)nn1C
InChIInChI=1S/C11H19N3O3/c1-5-17-7-6-13(3)10-9(11(15)16)8(2)12-14(10)4/h5-7H2,1-4H3,(H,15,16)
InChIKeyQXOPLAKXWQYUSA-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.90
Rot. Bonds6

About 5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid

5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 81056227) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID81056227
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCOCCN(C)c1c(C(=O)O)c(C)nn1C
InChIInChI=1S/C11H19N3O3/c1-5-17-7-6-13(3)10-9(11(15)16)8(2)12-14(10)4/h5-7H2,1-4H3,(H,15,16)
InChIKeyQXOPLAKXWQYUSA-UHFFFAOYSA-N
XLogP0.90
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
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-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid (CID 81056227) is 5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid is CCOCCN(C)c1c(C(=O)O)c(C)nn1C.
What is the InChIKey of 5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is QXOPLAKXWQYUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-17-7-6-13(3)10-9(11(15)16)8(2)12-14(10)4/h5-7H2,1-4H3,(H,15,16).
What are the key properties of 5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid?
5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 81056227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).