N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide

C20H24N6OS — CID 110238846

IUPACN-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCC1
InChIInChI=1S/C20H24N6OS/c1-15(25-9-2-3-10-25)20(27)23-8-11-26-19(18-5-4-12-28-18)16(13-24-26)17-14-21-6-7-22-17/h4-7,12-15H,2-3,8-11H2,1H3,(H,23,27)
InChIKeyACZNJOWTDHNDEX-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.67
Rot. Bonds7

About N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide

N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 110238846) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
PubChem CID110238846
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC NameN-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCC1
InChIInChI=1S/C20H24N6OS/c1-15(25-9-2-3-10-25)20(27)23-8-11-26-19(18-5-4-12-28-18)16(13-24-26)17-14-21-6-7-22-17/h4-7,12-15H,2-3,8-11H2,1H3,(H,23,27)
InChIKeyACZNJOWTDHNDEX-UHFFFAOYSA-N
XLogP2.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide 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-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide (CID 110238846) is N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide is CC(C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCC1.
What is the InChIKey of N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is ACZNJOWTDHNDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-15(25-9-2-3-10-25)20(27)23-8-11-26-19(18-5-4-12-28-18)16(13-24-26)17-14-21-6-7-22-17/h4-7,12-15H,2-3,8-11H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 396.52 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 110238846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).