1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide

C23H34N4O — CID 118242498

IUPAC1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1N1CCCCC1
InChIInChI=1S/C23H34N4O/c1-23(2,3)27-22(26-9-5-4-6-10-26)19(14-24-27)21(28)25-20-13-16-8-7-15-11-17(16)18(20)12-15/h8,14-15,17-18,20H,4-7,9-13H2,1-3H3,(H,25,28)
InChIKeyMNWDRICHYGDXSS-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.10
Rot. Bonds3

About 1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide

1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide (PubChem CID 118242498) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
PubChem CID118242498
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1N1CCCCC1
InChIInChI=1S/C23H34N4O/c1-23(2,3)27-22(26-9-5-4-6-10-26)19(14-24-27)21(28)25-20-13-16-8-7-15-11-17(16)18(20)12-15/h8,14-15,17-18,20H,4-7,9-13H2,1-3H3,(H,25,28)
InChIKeyMNWDRICHYGDXSS-UHFFFAOYSA-N
XLogP4.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide (CID 118242498) is 1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide is CC(C)(C)n1ncc(C(=O)NC2CC3=CCC4CC3C2C4)c1N1CCCCC1.
What is the InChIKey of 1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
The InChIKey is MNWDRICHYGDXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-23(2,3)27-22(26-9-5-4-6-10-26)19(14-24-27)21(28)25-20-13-16-8-7-15-11-17(16)18(20)12-15/h8,14-15,17-18,20H,4-7,9-13H2,1-3H3,(H,25,28).
What are the key properties of 1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide?
1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-piperidin-1-yl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide is sourced from PubChem (CID 118242498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).