5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole

C14H17FN4O3S — CID 128975092

IUPAC5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
SMILESCO[C@@H]1C[C@@H](c2ncn[nH]2)N(S(=O)(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C14H17FN4O3S/c1-22-12-6-13(14-16-9-17-18-14)19(7-12)23(20,21)8-10-3-2-4-11(15)5-10/h2-5,9,12-13H,6-8H2,1H3,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyNIDRQHBKKITZID-OLZOCXBDSA-N
MW340.38 g/mol
LogP1.24
Rot. Bonds5

About 5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole

5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole (PubChem CID 128975092) has the molecular formula C14H17FN4O3S and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
PubChem CID128975092
Molecular FormulaC14H17FN4O3S
Molecular Weight340.38 g/mol
Exact Mass340.10
IUPAC Name5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
SMILESCO[C@@H]1C[C@@H](c2ncn[nH]2)N(S(=O)(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C14H17FN4O3S/c1-22-12-6-13(14-16-9-17-18-14)19(7-12)23(20,21)8-10-3-2-4-11(15)5-10/h2-5,9,12-13H,6-8H2,1H3,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyNIDRQHBKKITZID-OLZOCXBDSA-N
XLogP1.24
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2S,4R)-4-methoxy-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128975087
2-[3-(methoxymethyl)phenyl]-1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128985320
5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128975121
4-fluoro-2-[[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 128982786
5-[(2S,4R)-4-methoxy-1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128979976
2-fluoro-6-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]benzonitrile
CID 167912207
[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 128985231
5-[(2S,4R)-4-methoxy-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128982701
1-benzofuran-2-yl-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128985395
1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 128990463
(3-chloro-2-methylphenyl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128985182
1-[2-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylpyridin-2-one
CID 128985321

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole (CID 128975092) is 5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole is CO[C@@H]1C[C@@H](c2ncn[nH]2)N(S(=O)(=O)Cc2cccc(F)c2)C1.
What is the InChIKey of 5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole?
The InChIKey is NIDRQHBKKITZID-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17FN4O3S/c1-22-12-6-13(14-16-9-17-18-14)19(7-12)23(20,21)8-10-3-2-4-11(15)5-10/h2-5,9,12-13H,6-8H2,1H3,(H,16,17,18)/t12-,13+/m1/s1.
What are the key properties of 5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole?
5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole has a molecular weight of 340.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 128975092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).