N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide

C17H22FN5O3S — CID 126782629

IUPACN-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCCCc1nc(C(=O)N2CCC(NS(C)(=O)=O)C2)nn1-c1ccccc1F
InChIInChI=1S/C17H22FN5O3S/c1-3-6-15-19-16(20-23(15)14-8-5-4-7-13(14)18)17(24)22-10-9-12(11-22)21-27(2,25)26/h4-5,7-8,12,21H,3,6,9-11H2,1-2H3
InChIKeyFGADLODPIIDZBR-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.12
Rot. Bonds6

About N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide

N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 126782629) has the molecular formula C17H22FN5O3S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID126782629
Molecular FormulaC17H22FN5O3S
Molecular Weight395.46 g/mol
Exact Mass395.14
IUPAC NameN-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCCCc1nc(C(=O)N2CCC(NS(C)(=O)=O)C2)nn1-c1ccccc1F
InChIInChI=1S/C17H22FN5O3S/c1-3-6-15-19-16(20-23(15)14-8-5-4-7-13(14)18)17(24)22-10-9-12(11-22)21-27(2,25)26/h4-5,7-8,12,21H,3,6,9-11H2,1-2H3
InChIKeyFGADLODPIIDZBR-UHFFFAOYSA-N
XLogP1.12
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone
CID 119376351
1-(2-fluorophenyl)-N-(3-hydroxybutyl)-5-propyl-1,2,4-triazole-3-carboxamide
CID 111462985
(3S,4S)-1-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112436
N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 51108800
1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide
CID 126792874
N-[1-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 34353910
[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397376
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone
CID 119595267
[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545347
1-(2-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652629
[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032429
1-(5-chloro-2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652683

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide (CID 126782629) is N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide is CCCc1nc(C(=O)N2CCC(NS(C)(=O)=O)C2)nn1-c1ccccc1F.
What is the InChIKey of N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is FGADLODPIIDZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O3S/c1-3-6-15-19-16(20-23(15)14-8-5-4-7-13(14)18)17(24)22-10-9-12(11-22)21-27(2,25)26/h4-5,7-8,12,21H,3,6,9-11H2,1-2H3.
What are the key properties of N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 126782629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).