N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

C25H30N4O2 — CID 45195292

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESCc1cc(C)n(CCNC(=O)CCC2(Cc3ccc4ccccc4c3)CCC(=O)N2)n1
InChIInChI=1S/C25H30N4O2/c1-18-15-19(2)29(28-18)14-13-26-23(30)9-11-25(12-10-24(31)27-25)17-20-7-8-21-5-3-4-6-22(21)16-20/h3-8,15-16H,9-14,17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyLYEVLSDSBYZNRR-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.44
Rot. Bonds8

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 45195292) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
PubChem CID45195292
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESCc1cc(C)n(CCNC(=O)CCC2(Cc3ccc4ccccc4c3)CCC(=O)N2)n1
InChIInChI=1S/C25H30N4O2/c1-18-15-19(2)29(28-18)14-13-26-23(30)9-11-25(12-10-24(31)27-25)17-20-7-8-21-5-3-4-6-22(21)16-20/h3-8,15-16H,9-14,17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyLYEVLSDSBYZNRR-UHFFFAOYSA-N
XLogP3.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide 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-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (CID 45195292) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is Cc1cc(C)n(CCNC(=O)CCC2(Cc3ccc4ccccc4c3)CCC(=O)N2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is LYEVLSDSBYZNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-15-19(2)29(28-18)14-13-26-23(30)9-11-25(12-10-24(31)27-25)17-20-7-8-21-5-3-4-6-22(21)16-20/h3-8,15-16H,9-14,17H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 418.54 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45195292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).