3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide

C16H14ClN3OS — CID 46920502

IUPAC3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCc1cccs1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C16H14ClN3OS/c17-13-6-2-1-5-12(13)14-10-15(20-19-14)16(21)18-8-7-11-4-3-9-22-11/h1-6,9-10H,7-8H2,(H,18,21)(H,19,20)
InChIKeyUIYGUOPCAWXRHQ-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.76
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920502) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID46920502
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCc1cccs1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C16H14ClN3OS/c17-13-6-2-1-5-12(13)14-10-15(20-19-14)16(21)18-8-7-11-4-3-9-22-11/h1-6,9-10H,7-8H2,(H,18,21)(H,19,20)
InChIKeyUIYGUOPCAWXRHQ-UHFFFAOYSA-N
XLogP3.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46920507
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide
CID 3410297
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119387033
9-oxo-N-(2-thiophen-2-ylethyl)fluorene-2-carboxamide
CID 16612942
3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 47036298

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide (CID 46920502) is 3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide is O=C(NCCc1cccs1)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UIYGUOPCAWXRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c17-13-6-2-1-5-12(13)14-10-15(20-19-14)16(21)18-8-7-11-4-3-9-22-11/h1-6,9-10H,7-8H2,(H,18,21)(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).