N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C13H23N3O3 — CID 79547185

IUPACN-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCOC(CNC(=O)c1cc(CC)nn1C)OCC
InChIInChI=1S/C13H23N3O3/c1-5-10-8-11(16(4)15-10)13(17)14-9-12(18-6-2)19-7-3/h8,12H,5-7,9H2,1-4H3,(H,14,17)
InChIKeyIAERELWKPXQUKX-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.11
Rot. Bonds8

About N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 79547185) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID79547185
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCOC(CNC(=O)c1cc(CC)nn1C)OCC
InChIInChI=1S/C13H23N3O3/c1-5-10-8-11(16(4)15-10)13(17)14-9-12(18-6-2)19-7-3/h8,12H,5-7,9H2,1-4H3,(H,14,17)
InChIKeyIAERELWKPXQUKX-UHFFFAOYSA-N
XLogP1.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
N-(2-bromo-2-cyclopropylethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114315903
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
3-ethyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279591
N-(3-bromo-4-methoxybutyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106245148
N-(2-aminocyclopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120357
N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide
CID 107972296
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79193800

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 79547185) is N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCOC(CNC(=O)c1cc(CC)nn1C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is IAERELWKPXQUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-10-8-11(16(4)15-10)13(17)14-9-12(18-6-2)19-7-3/h8,12H,5-7,9H2,1-4H3,(H,14,17).
What are the key properties of N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 79547185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).