N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide

C21H28N4O2 — CID 51361525

IUPACN-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCn1nc(C(C)(C)C)cc1N1C(=O)CCC1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C21H28N4O2/c1-20(2,3)16-13-17(24(5)23-16)25-18(26)11-12-21(25,4)19(27)22-14-15-9-7-6-8-10-15/h6-10,13H,11-12,14H2,1-5H3,(H,22,27)
InChIKeyKUAVLYAEXWMDGB-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.92
Rot. Bonds4

About N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide

N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 51361525) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID51361525
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCn1nc(C(C)(C)C)cc1N1C(=O)CCC1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C21H28N4O2/c1-20(2,3)16-13-17(24(5)23-16)25-18(26)11-12-21(25,4)19(27)22-14-15-9-7-6-8-10-15/h6-10,13H,11-12,14H2,1-5H3,(H,22,27)
InChIKeyKUAVLYAEXWMDGB-UHFFFAOYSA-N
XLogP2.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-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-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 51361525) is N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide is Cn1nc(C(C)(C)C)cc1N1C(=O)CCC1(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KUAVLYAEXWMDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-20(2,3)16-13-17(24(5)23-16)25-18(26)11-12-21(25,4)19(27)22-14-15-9-7-6-8-10-15/h6-10,13H,11-12,14H2,1-5H3,(H,22,27).
What are the key properties of N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 51361525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).