N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C22H37N5O2 — CID 126736579

IUPACN-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CC3CCC(C2)N3CC(=O)NC(C)(C)C)n(C)n1
InChIInChI=1S/C22H37N5O2/c1-14(2)18-11-19(26(6)25-18)21(29)23-12-15-9-16-7-8-17(10-15)27(16)13-20(28)24-22(3,4)5/h11,14-17H,7-10,12-13H2,1-6H3,(H,23,29)(H,24,28)
InChIKeyXGTDWEMNCZGSKB-UHFFFAOYSA-N
MW403.57 g/mol
LogP2.43
Rot. Bonds6

About N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 126736579) has the molecular formula C22H37N5O2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID126736579
Molecular FormulaC22H37N5O2
Molecular Weight403.57 g/mol
Exact Mass403.29
IUPAC NameN-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CC3CCC(C2)N3CC(=O)NC(C)(C)C)n(C)n1
InChIInChI=1S/C22H37N5O2/c1-14(2)18-11-19(26(6)25-18)21(29)23-12-15-9-16-7-8-17(10-15)27(16)13-20(28)24-22(3,4)5/h11,14-17H,7-10,12-13H2,1-6H3,(H,23,29)(H,24,28)
InChIKeyXGTDWEMNCZGSKB-UHFFFAOYSA-N
XLogP2.43
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-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-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 126736579) is N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCC2CC3CCC(C2)N3CC(=O)NC(C)(C)C)n(C)n1.
What is the InChIKey of N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is XGTDWEMNCZGSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O2/c1-14(2)18-11-19(26(6)25-18)21(29)23-12-15-9-16-7-8-17(10-15)27(16)13-20(28)24-22(3,4)5/h11,14-17H,7-10,12-13H2,1-6H3,(H,23,29)(H,24,28).
What are the key properties of N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 126736579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).