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

C15H11F2N3OS — CID 42687284

IUPAC3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
SMILESCc1[nH]nc(-c2ccsc2)c1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H11F2N3OS/c1-8-13(14(20-19-8)9-2-3-22-7-9)18-15(21)10-4-11(16)6-12(17)5-10/h2-7H,1H3,(H,18,21)(H,19,20)
InChIKeyIALTXTBJVZFULB-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.98
Rot. Bonds3

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

3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide (PubChem CID 42687284) has the molecular formula C15H11F2N3OS and a molecular weight of 319.34 g/mol. Its IUPAC name is 3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
PubChem CID42687284
Molecular FormulaC15H11F2N3OS
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
SMILESCc1[nH]nc(-c2ccsc2)c1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H11F2N3OS/c1-8-13(14(20-19-8)9-2-3-22-7-9)18-15(21)10-4-11(16)6-12(17)5-10/h2-7H,1H3,(H,18,21)(H,19,20)
InChIKeyIALTXTBJVZFULB-UHFFFAOYSA-N
XLogP3.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42687572
3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
CID 42874274
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide
CID 42874270
1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
CID 42687523
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
CID 14183157
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide
CID 42687275
N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide
CID 42687226
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide
CID 42656651
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686466
N-[2,6-dimethyl-3-oxo-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-4-yl]-4-fluorobenzamide
CID 2801182
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
CID 42686102

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide (CID 42687284) is 3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide is Cc1[nH]nc(-c2ccsc2)c1NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide?
The InChIKey is IALTXTBJVZFULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3OS/c1-8-13(14(20-19-8)9-2-3-22-7-9)18-15(21)10-4-11(16)6-12(17)5-10/h2-7H,1H3,(H,18,21)(H,19,20).
What are the key properties of 3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide?
3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide has a molecular weight of 319.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 42687284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).