2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide

C17H15F2N3OS — CID 42687245

IUPAC2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide
SMILESCCCc1[nH]nc(-c2cccs2)c1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H15F2N3OS/c1-2-4-13-15(16(22-21-13)14-5-3-8-24-14)20-17(23)11-7-6-10(18)9-12(11)19/h3,5-9H,2,4H2,1H3,(H,20,23)(H,21,22)
InChIKeyOKUYWUTZFVWFFC-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.62
Rot. Bonds5

About 2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide

2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide (PubChem CID 42687245) has the molecular formula C17H15F2N3OS and a molecular weight of 347.39 g/mol. Its IUPAC name is 2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide
PubChem CID42687245
Molecular FormulaC17H15F2N3OS
Molecular Weight347.39 g/mol
Exact Mass347.09
IUPAC Name2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide
SMILESCCCc1[nH]nc(-c2cccs2)c1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H15F2N3OS/c1-2-4-13-15(16(22-21-13)14-5-3-8-24-14)20-17(23)11-7-6-10(18)9-12(11)19/h3,5-9H,2,4H2,1H3,(H,20,23)(H,21,22)
InChIKeyOKUYWUTZFVWFFC-UHFFFAOYSA-N
XLogP4.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide (CID 42687245) is 2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide is CCCc1[nH]nc(-c2cccs2)c1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide?
The InChIKey is OKUYWUTZFVWFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS/c1-2-4-13-15(16(22-21-13)14-5-3-8-24-14)20-17(23)11-7-6-10(18)9-12(11)19/h3,5-9H,2,4H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide?
2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide has a molecular weight of 347.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 42687245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).