N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide

C19H18F3N3O4S — CID 3370497

IUPACN-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
SMILESCc1nn(C)c(C)c1N(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)S(C)(=O)=O
InChIInChI=1S/C19H18F3N3O4S/c1-11-17(12(2)24(3)23-11)25(30(4,27)28)18(26)16-9-8-15(29-16)13-6-5-7-14(10-13)19(20,21)22/h5-10H,1-4H3
InChIKeyHNMFLLJPPOLGPF-UHFFFAOYSA-N
MW441.43 g/mol
LogP3.92
Rot. Bonds4

About N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide

N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide (PubChem CID 3370497) has the molecular formula C19H18F3N3O4S and a molecular weight of 441.43 g/mol. Its IUPAC name is N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
PubChem CID3370497
Molecular FormulaC19H18F3N3O4S
Molecular Weight441.43 g/mol
Exact Mass441.10
IUPAC NameN-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
SMILESCc1nn(C)c(C)c1N(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)S(C)(=O)=O
InChIInChI=1S/C19H18F3N3O4S/c1-11-17(12(2)24(3)23-11)25(30(4,27)28)18(26)16-9-8-15(29-16)13-6-5-7-14(10-13)19(20,21)22/h5-10H,1-4H3
InChIKeyHNMFLLJPPOLGPF-UHFFFAOYSA-N
XLogP3.92
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 49865325
(3,5-Dimethylpyrazol-1-yl)-[5-(4-methylphenyl)furan-2-yl]methanone
CID 145981967
(3,5-Dimethylpyrazol-1-yl)-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 145983187
[5-(2,4-Difluorophenyl)furan-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone
CID 145993939
(3,5-Dimethylpyrazol-1-yl)-[5-(3-fluorophenyl)furan-2-yl]methanone
CID 145979217
(3,5-Dimethylpyrazol-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone
CID 145980967
(3,5-Dimethylpyrazol-1-yl)-(5-phenylfuran-2-yl)methanone
CID 145989866
[5-(2,6-Difluorophenyl)furan-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone
CID 145990536
2-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 46207154
1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 46207203
1-(difluoromethyl)-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazole-3-carboxamide
CID 58505326
2-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)-1H-pyrazol-2-ium-5-carboxamide
CID 58505419

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide (CID 3370497) is N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide is Cc1nn(C)c(C)c1N(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)S(C)(=O)=O.
What is the InChIKey of N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide?
The InChIKey is HNMFLLJPPOLGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4S/c1-11-17(12(2)24(3)23-11)25(30(4,27)28)18(26)16-9-8-15(29-16)13-6-5-7-14(10-13)19(20,21)22/h5-10H,1-4H3.
What are the key properties of N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide?
N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide has a molecular weight of 441.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 3370497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).