N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide

C16H13F2N3OS — CID 42687226

IUPACN-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide
SMILESCCc1[nH]nc(-c2cccs2)c1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H13F2N3OS/c1-2-12-14(15(21-20-12)13-4-3-5-23-13)19-16(22)9-6-10(17)8-11(18)7-9/h3-8H,2H2,1H3,(H,19,22)(H,20,21)
InChIKeyKPUBSQLREVNOSI-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.23
Rot. Bonds4

About N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide

N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide (PubChem CID 42687226) has the molecular formula C16H13F2N3OS and a molecular weight of 333.36 g/mol. Its IUPAC name is N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide
PubChem CID42687226
Molecular FormulaC16H13F2N3OS
Molecular Weight333.36 g/mol
Exact Mass333.07
IUPAC NameN-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide
SMILESCCc1[nH]nc(-c2cccs2)c1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H13F2N3OS/c1-2-12-14(15(21-20-12)13-4-3-5-23-13)19-16(22)9-6-10(17)8-11(18)7-9/h3-8H,2H2,1H3,(H,19,22)(H,20,21)
InChIKeyKPUBSQLREVNOSI-UHFFFAOYSA-N
XLogP4.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea
CID 42687514
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
CID 42686102
2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide
CID 42687233
N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-fluorobenzamide
CID 42685787
3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
CID 42687284
3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 110928302
3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42687572
4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole
CID 121211408
4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686304
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42686326
N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide
CID 42874128
N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 42686730

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide?
The IUPAC name of N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide (CID 42687226) is N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide?
The canonical SMILES for N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide is CCc1[nH]nc(-c2cccs2)c1NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide?
The InChIKey is KPUBSQLREVNOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3OS/c1-2-12-14(15(21-20-12)13-4-3-5-23-13)19-16(22)9-6-10(17)8-11(18)7-9/h3-8H,2H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide?
N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide has a molecular weight of 333.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide is sourced from PubChem (CID 42687226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).