2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide

C16H13F2N3OS — CID 71808119

IUPAC2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1c(F)cccc1F
InChIInChI=1S/C16H13F2N3OS/c17-11-3-1-4-12(18)15(11)16(22)19-7-9-21-8-6-13(20-21)14-5-2-10-23-14/h1-6,8,10H,7,9H2,(H,19,22)
InChIKeyAJMQWDYSDUAZOD-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.32
Rot. Bonds5

About 2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide

2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 71808119) has the molecular formula C16H13F2N3OS and a molecular weight of 333.36 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID71808119
Molecular FormulaC16H13F2N3OS
Molecular Weight333.36 g/mol
Exact Mass333.07
IUPAC Name2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1c(F)cccc1F
InChIInChI=1S/C16H13F2N3OS/c17-11-3-1-4-12(18)15(11)16(22)19-7-9-21-8-6-13(20-21)14-5-2-10-23-14/h1-6,8,10H,7,9H2,(H,19,22)
InChIKeyAJMQWDYSDUAZOD-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2809248
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CID 3191222
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CID 2529430
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CID 2814851
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CID 7308643
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CID 5161671
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CID 10246764
CID 10246764

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (CID 71808119) is 2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1ccc(-c2cccs2)n1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is AJMQWDYSDUAZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3OS/c17-11-3-1-4-12(18)15(11)16(22)19-7-9-21-8-6-13(20-21)14-5-2-10-23-14/h1-6,8,10H,7,9H2,(H,19,22).
What are the key properties of 2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 333.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 71808119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).