N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide

C22H34N4O — CID 25014249

IUPACN-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1N1CCCC1
InChIInChI=1S/C22H34N4O/c1-22(2,3)26-21(25-6-4-5-7-25)18(13-23-26)20(27)24-19-16-9-14-8-15(11-16)12-17(19)10-14/h13-17,19H,4-12H2,1-3H3,(H,24,27)
InChIKeyFFYOFTXJMACLOS-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.79
Rot. Bonds3

About N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide

N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide (PubChem CID 25014249) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide
PubChem CID25014249
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC NameN-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1N1CCCC1
InChIInChI=1S/C22H34N4O/c1-22(2,3)26-21(25-6-4-5-7-25)18(13-23-26)20(27)24-19-16-9-14-8-15(11-16)12-17(19)10-14/h13-17,19H,4-12H2,1-3H3,(H,24,27)
InChIKeyFFYOFTXJMACLOS-UHFFFAOYSA-N
XLogP3.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide 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-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide (CID 25014249) is N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide is CC(C)(C)n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1N1CCCC1.
What is the InChIKey of N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide?
The InChIKey is FFYOFTXJMACLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-22(2,3)26-21(25-6-4-5-7-25)18(13-23-26)20(27)24-19-16-9-14-8-15(11-16)12-17(19)10-14/h13-17,19H,4-12H2,1-3H3,(H,24,27).
What are the key properties of N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide?
N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-tert-butyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 25014249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).