1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide

C23H20FN3O4S — CID 22316879

IUPAC1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccc(-c3ccco3)cc2)n(-c2ccc(S(C)(=O)=O)c(F)c2)n1
InChIInChI=1S/C23H20FN3O4S/c1-26(2)23(28)19-14-20(15-6-8-16(9-7-15)21-5-4-12-31-21)27(25-19)17-10-11-22(18(24)13-17)32(3,29)30/h4-14H,1-3H3
InChIKeyCMJAZSBAFSGFNF-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.04
Rot. Bonds5

About 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide

1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 22316879) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID22316879
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC Name1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccc(-c3ccco3)cc2)n(-c2ccc(S(C)(=O)=O)c(F)c2)n1
InChIInChI=1S/C23H20FN3O4S/c1-26(2)23(28)19-14-20(15-6-8-16(9-7-15)21-5-4-12-31-21)27(25-19)17-10-11-22(18(24)13-17)32(3,29)30/h4-14H,1-3H3
InChIKeyCMJAZSBAFSGFNF-UHFFFAOYSA-N
XLogP4.04
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylphenyl]methanamine;hydrochloride
CID 22316908
2-(3-fluoro-4-methylsulfonylphenyl)-1-[4-(furan-2-yl)phenyl]-5-methylpyrrole
CID 15908401
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
CID 52554012
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide
CID 55551382
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 112811290
1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168525452
5-[4-(furan-2-yl)-2-methylphenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 22316649
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509601
5-(3-fluoro-4-methylsulfonylphenyl)-1-(4-isocyanophenyl)-3-(trifluoromethyl)pyrazole
CID 59925887
[2-chloro-4-[1-(3-fluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-6-methylphenyl] trifluoromethanesulfonate
CID 22316799
1-(3,4-dichlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
CID 29269124

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide (CID 22316879) is 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1cc(-c2ccc(-c3ccco3)cc2)n(-c2ccc(S(C)(=O)=O)c(F)c2)n1.
What is the InChIKey of 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is CMJAZSBAFSGFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c1-26(2)23(28)19-14-20(15-6-8-16(9-7-15)21-5-4-12-31-21)27(25-19)17-10-11-22(18(24)13-17)32(3,29)30/h4-14H,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 22316879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).