4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide

C16H14FN3OS — CID 122265056

IUPAC4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)n1cccn1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3OS/c17-13-6-4-12(5-7-13)16(21)18-11-14(15-3-1-10-22-15)20-9-2-8-19-20/h1-10,14H,11H2,(H,18,21)
InChIKeyUREYFJLMSMMHPZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.10
Rot. Bonds5

About 4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide

4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 122265056) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID122265056
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)n1cccn1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3OS/c17-13-6-4-12(5-7-13)16(21)18-11-14(15-3-1-10-22-15)20-9-2-8-19-20/h1-10,14H,11H2,(H,18,21)
InChIKeyUREYFJLMSMMHPZ-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide 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

2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265088
1-(4-fluorophenyl)-3-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)urea
CID 122265442
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265187
3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265064
2-chloro-6-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 121019313
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
CID 52984653
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265100
2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265068

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide (CID 122265056) is 4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide is O=C(NCC(c1cccs1)n1cccn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is UREYFJLMSMMHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c17-13-6-4-12(5-7-13)16(21)18-11-14(15-3-1-10-22-15)20-9-2-8-19-20/h1-10,14H,11H2,(H,18,21).
What are the key properties of 4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 122265056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).