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

C8H13N3O3 — CID 79676420

IUPACN-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide
SMILESCOCCONC(=O)c1cnn(C)c1
InChIInChI=1S/C8H13N3O3/c1-11-6-7(5-9-11)8(12)10-14-4-3-13-2/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyCCCLTOOAODQCGZ-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.27
Rot. Bonds5

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

N-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide (PubChem CID 79676420) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide
PubChem CID79676420
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide
SMILESCOCCONC(=O)c1cnn(C)c1
InChIInChI=1S/C8H13N3O3/c1-11-6-7(5-9-11)8(12)10-14-4-3-13-2/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyCCCLTOOAODQCGZ-UHFFFAOYSA-N
XLogP-0.27
TPSA65.38 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 ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide (CID 79676420) is N-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide is COCCONC(=O)c1cnn(C)c1.
What is the InChIKey of N-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide?
The InChIKey is CCCLTOOAODQCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-11-6-7(5-9-11)8(12)10-14-4-3-13-2/h5-6H,3-4H2,1-2H3,(H,10,12).
What are the key properties of N-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide?
N-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 79676420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).