3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide

C17H31N3O3 — CID 126839784

IUPAC3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide
SMILESCCOCCCNC(=O)C(C)Cc1c(C)nn(COCC)c1C
InChIInChI=1S/C17H31N3O3/c1-6-22-10-8-9-18-17(21)13(3)11-16-14(4)19-20(15(16)5)12-23-7-2/h13H,6-12H2,1-5H3,(H,18,21)
InChIKeyFFQNHAUUZGTQLG-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.22
Rot. Bonds11

About 3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide

3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide (PubChem CID 126839784) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide
PubChem CID126839784
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide
SMILESCCOCCCNC(=O)C(C)Cc1c(C)nn(COCC)c1C
InChIInChI=1S/C17H31N3O3/c1-6-22-10-8-9-18-17(21)13(3)11-16-14(4)19-20(15(16)5)12-23-7-2/h13H,6-12H2,1-5H3,(H,18,21)
InChIKeyFFQNHAUUZGTQLG-UHFFFAOYSA-N
XLogP2.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.22
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-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide?
The IUPAC name of 3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide (CID 126839784) is 3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide.
What is the SMILES notation for 3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide?
The canonical SMILES for 3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide is CCOCCCNC(=O)C(C)Cc1c(C)nn(COCC)c1C.
What is the InChIKey of 3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide?
The InChIKey is FFQNHAUUZGTQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-6-22-10-8-9-18-17(21)13(3)11-16-14(4)19-20(15(16)5)12-23-7-2/h13H,6-12H2,1-5H3,(H,18,21).
What are the key properties of 3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide?
3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide has a molecular weight of 325.45 g/mol, XLogP of 2.22, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide is sourced from PubChem (CID 126839784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).