N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide

C15H25N3O — CID 53015602

IUPACN-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1cc2c(n1)CCCCCC2
InChIInChI=1S/C15H25N3O/c1-15(2,3)16-14(19)11-18-10-12-8-6-4-5-7-9-13(12)17-18/h10H,4-9,11H2,1-3H3,(H,16,19)
InChIKeyHFJXVGCIBZIVGB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.46
Rot. Bonds2

About N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide

N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide (PubChem CID 53015602) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide
PubChem CID53015602
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1cc2c(n1)CCCCCC2
InChIInChI=1S/C15H25N3O/c1-15(2,3)16-14(19)11-18-10-12-8-6-4-5-7-9-13(12)17-18/h10H,4-9,11H2,1-3H3,(H,16,19)
InChIKeyHFJXVGCIBZIVGB-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide (CID 53015602) is N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide is CC(C)(C)NC(=O)Cn1cc2c(n1)CCCCCC2.
What is the InChIKey of N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide?
The InChIKey is HFJXVGCIBZIVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)16-14(19)11-18-10-12-8-6-4-5-7-9-13(12)17-18/h10H,4-9,11H2,1-3H3,(H,16,19).
What are the key properties of N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide?
N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 53015602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).