1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide

C15H28N4O2 — CID 71933275

IUPAC1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide
SMILESCOCCN(CCN(C)C)C(=O)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C15H28N4O2/c1-15(2,3)19-12-13(11-16-19)14(20)18(9-10-21-6)8-7-17(4)5/h11-12H,7-10H2,1-6H3
InChIKeyHTQWRIMWARLGPL-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.29
Rot. Bonds7

About 1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide

1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide (PubChem CID 71933275) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide
PubChem CID71933275
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide
SMILESCOCCN(CCN(C)C)C(=O)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C15H28N4O2/c1-15(2,3)19-12-13(11-16-19)14(20)18(9-10-21-6)8-7-17(4)5/h11-12H,7-10H2,1-6H3
InChIKeyHTQWRIMWARLGPL-UHFFFAOYSA-N
XLogP1.29
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide (CID 71933275) is 1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide is COCCN(CCN(C)C)C(=O)c1cnn(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide?
The InChIKey is HTQWRIMWARLGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-15(2,3)19-12-13(11-16-19)14(20)18(9-10-21-6)8-7-17(4)5/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide?
1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 71933275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).