5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide

C15H24N4O2 — CID 167940302

IUPAC5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)c1[nH]ncc1C(=O)NC1CCC(=O)NC1(C)C
InChIInChI=1S/C15H24N4O2/c1-14(2,3)12-9(8-16-19-12)13(21)17-10-6-7-11(20)18-15(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyVZUBZYLKIMJTOF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.49
Rot. Bonds2

About 5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide

5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 167940302) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID167940302
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)c1[nH]ncc1C(=O)NC1CCC(=O)NC1(C)C
InChIInChI=1S/C15H24N4O2/c1-14(2,3)12-9(8-16-19-12)13(21)17-10-6-7-11(20)18-15(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyVZUBZYLKIMJTOF-UHFFFAOYSA-N
XLogP1.49
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide (CID 167940302) is 5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide is CC(C)(C)c1[nH]ncc1C(=O)NC1CCC(=O)NC1(C)C.
What is the InChIKey of 5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is VZUBZYLKIMJTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-14(2,3)12-9(8-16-19-12)13(21)17-10-6-7-11(20)18-15(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,19)(H,17,21)(H,18,20).
What are the key properties of 5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide?
5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2,2-dimethyl-6-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167940302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).