N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide

C8H13N3O3 — CID 79676894

IUPACN-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOCCONC(=O)c1cn[nH]c1C
InChIInChI=1S/C8H13N3O3/c1-6-7(5-9-10-6)8(12)11-14-4-3-13-2/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyCYXCVPFNKHJLIW-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.03
Rot. Bonds5

About N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide

N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 79676894) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID79676894
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOCCONC(=O)c1cn[nH]c1C
InChIInChI=1S/C8H13N3O3/c1-6-7(5-9-10-6)8(12)11-14-4-3-13-2/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyCYXCVPFNKHJLIW-UHFFFAOYSA-N
XLogP0.03
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide (CID 79676894) is N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide is COCCONC(=O)c1cn[nH]c1C.
What is the InChIKey of N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is CYXCVPFNKHJLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-6-7(5-9-10-6)8(12)11-14-4-3-13-2/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 199.21 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 79676894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).