2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide

C17H24N4OS — CID 75515790

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide
SMILESCCC(NC(=O)N1CCCC1c1c(C)n[nH]c1C)c1cccs1
InChIInChI=1S/C17H24N4OS/c1-4-13(15-8-6-10-23-15)18-17(22)21-9-5-7-14(21)16-11(2)19-20-12(16)3/h6,8,10,13-14H,4-5,7,9H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyIBUXCUADNFSHFS-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.09
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide (PubChem CID 75515790) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide
PubChem CID75515790
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide
SMILESCCC(NC(=O)N1CCCC1c1c(C)n[nH]c1C)c1cccs1
InChIInChI=1S/C17H24N4OS/c1-4-13(15-8-6-10-23-15)18-17(22)21-9-5-7-14(21)16-11(2)19-20-12(16)3/h6,8,10,13-14H,4-5,7,9H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyIBUXCUADNFSHFS-UHFFFAOYSA-N
XLogP4.09
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-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 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide (CID 75515790) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide is CCC(NC(=O)N1CCCC1c1c(C)n[nH]c1C)c1cccs1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is IBUXCUADNFSHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-4-13(15-8-6-10-23-15)18-17(22)21-9-5-7-14(21)16-11(2)19-20-12(16)3/h6,8,10,13-14H,4-5,7,9H2,1-3H3,(H,18,22)(H,19,20).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75515790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).