N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C20H13F2N3OS — CID 2336041

IUPACN-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C20H13F2N3OS/c21-16-9-8-13(11-17(16)22)23-20(26)15-12-25(14-5-2-1-3-6-14)24-19(15)18-7-4-10-27-18/h1-12H,(H,23,26)
InChIKeyQBENBVIQORCZIE-UHFFFAOYSA-N
MW381.41 g/mol
LogP5.13
Rot. Bonds4

About N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2336041) has the molecular formula C20H13F2N3OS and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2336041
Molecular FormulaC20H13F2N3OS
Molecular Weight381.41 g/mol
Exact Mass381.07
IUPAC NameN-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C20H13F2N3OS/c21-16-9-8-13(11-17(16)22)23-20(26)15-12-25(14-5-2-1-3-6-14)24-19(15)18-7-4-10-27-18/h1-12H,(H,23,26)
InChIKeyQBENBVIQORCZIE-UHFFFAOYSA-N
XLogP5.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-(4-carbamoyl-3-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56518325
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058
N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4812792
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55732927
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55812613
N-[2-(2-fluorophenoxy)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 18228769
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 39043396
1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4963779

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2336041) is N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is QBENBVIQORCZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3OS/c21-16-9-8-13(11-17(16)22)23-20(26)15-12-25(14-5-2-1-3-6-14)24-19(15)18-7-4-10-27-18/h1-12H,(H,23,26).
What are the key properties of N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2336041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).