3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide

C8H13N3O3 — CID 166920213

IUPAC3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide
SMILESCOCCOc1nn(C)cc1C(N)=O
InChIInChI=1S/C8H13N3O3/c1-11-5-6(7(9)12)8(10-11)14-4-3-13-2/h5H,3-4H2,1-2H3,(H2,9,12)
InChIKeyBJDGJAQTYIKIJZ-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.46
Rot. Bonds5

About 3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide

3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide (PubChem CID 166920213) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide
PubChem CID166920213
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide
SMILESCOCCOc1nn(C)cc1C(N)=O
InChIInChI=1S/C8H13N3O3/c1-11-5-6(7(9)12)8(10-11)14-4-3-13-2/h5H,3-4H2,1-2H3,(H2,9,12)
InChIKeyBJDGJAQTYIKIJZ-UHFFFAOYSA-N
XLogP-0.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.46
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 3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide (CID 166920213) is 3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide is COCCOc1nn(C)cc1C(N)=O.
What is the InChIKey of 3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide?
The InChIKey is BJDGJAQTYIKIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-11-5-6(7(9)12)8(10-11)14-4-3-13-2/h5H,3-4H2,1-2H3,(H2,9,12).
What are the key properties of 3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide?
3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166920213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).