N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide

C18H19N3O2S — CID 126795657

IUPACN-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
SMILESCCOC(CNC(=O)c1cn[nH]c1-c1ccsc1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-2-23-16(13-6-4-3-5-7-13)11-19-18(22)15-10-20-21-17(15)14-8-9-24-12-14/h3-10,12,16H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyTWBVZSLTBFPGGG-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.65
Rot. Bonds7

About N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide

N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide (PubChem CID 126795657) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
PubChem CID126795657
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
SMILESCCOC(CNC(=O)c1cn[nH]c1-c1ccsc1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-2-23-16(13-6-4-3-5-7-13)11-19-18(22)15-10-20-21-17(15)14-8-9-24-12-14/h3-10,12,16H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyTWBVZSLTBFPGGG-UHFFFAOYSA-N
XLogP3.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-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-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide (CID 126795657) is N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide is CCOC(CNC(=O)c1cn[nH]c1-c1ccsc1)c1ccccc1.
What is the InChIKey of N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The InChIKey is TWBVZSLTBFPGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-23-16(13-6-4-3-5-7-13)11-19-18(22)15-10-20-21-17(15)14-8-9-24-12-14/h3-10,12,16H,2,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-phenylethyl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126795657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).