N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C21H16FN3OS — CID 4812792

IUPACN-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H16FN3OS/c1-14-9-10-15(22)12-18(14)23-21(26)17-13-25(16-6-3-2-4-7-16)24-20(17)19-8-5-11-27-19/h2-13H,1H3,(H,23,26)
InChIKeyYPYSDNOFNWCNHP-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.30
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 4812792) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID4812792
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC NameN-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H16FN3OS/c1-14-9-10-15(22)12-18(14)23-21(26)17-13-25(16-6-3-2-4-7-16)24-20(17)19-8-5-11-27-19/h2-13H,1H3,(H,23,26)
InChIKeyYPYSDNOFNWCNHP-UHFFFAOYSA-N
XLogP5.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55732927
N-(2-methoxy-5-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 7778291
N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336041
N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2407481
N-(4-carbamoyl-3-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56518325
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10021679

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 4812792) is N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is Cc1ccc(F)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is YPYSDNOFNWCNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c1-14-9-10-15(22)12-18(14)23-21(26)17-13-25(16-6-3-2-4-7-16)24-20(17)19-8-5-11-27-19/h2-13H,1H3,(H,23,26).
What are the key properties of N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 4812792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).