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

C16H14FN3OS — CID 122265055

IUPAC2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)n1cccn1)c1ccccc1F
InChIInChI=1S/C16H14FN3OS/c17-13-6-2-1-5-12(13)16(21)18-11-14(15-7-3-10-22-15)20-9-4-8-19-20/h1-10,14H,11H2,(H,18,21)
InChIKeyUVFZMKLQEUPVLD-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.10
Rot. Bonds5

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

2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 122265055) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID122265055
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)n1cccn1)c1ccccc1F
InChIInChI=1S/C16H14FN3OS/c17-13-6-2-1-5-12(13)16(21)18-11-14(15-7-3-10-22-15)20-9-4-8-19-20/h1-10,14H,11H2,(H,18,21)
InChIKeyUVFZMKLQEUPVLD-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

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Related Compounds

2-chloro-6-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 121019313
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265100
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265068
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
1-(4-fluorophenyl)-3-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)urea
CID 122265442
4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265088
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
CID 122265353
3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265064
3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 119102039

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide (CID 122265055) is 2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide is O=C(NCC(c1cccs1)n1cccn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is UVFZMKLQEUPVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c17-13-6-2-1-5-12(13)16(21)18-11-14(15-7-3-10-22-15)20-9-4-8-19-20/h1-10,14H,11H2,(H,18,21).
What are the key properties of 2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
2-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 2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 122265055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).