1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide

C13H23N3O2 — CID 75441125

IUPAC1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide
SMILESCCOCCN(C)C(=O)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H23N3O2/c1-6-18-8-7-15(5)12(17)11-9-14-16(10-11)13(2,3)4/h9-10H,6-8H2,1-5H3
InChIKeyZCBAYZJAWXQOCH-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.75
Rot. Bonds5

About 1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide

1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide (PubChem CID 75441125) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide
PubChem CID75441125
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide
SMILESCCOCCN(C)C(=O)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H23N3O2/c1-6-18-8-7-15(5)12(17)11-9-14-16(10-11)13(2,3)4/h9-10H,6-8H2,1-5H3
InChIKeyZCBAYZJAWXQOCH-UHFFFAOYSA-N
XLogP1.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide (CID 75441125) is 1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide is CCOCCN(C)C(=O)c1cnn(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is ZCBAYZJAWXQOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-18-8-7-15(5)12(17)11-9-14-16(10-11)13(2,3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide?
1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 75441125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).