1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole

C15H21N3O3S — CID 95780301

IUPAC1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole
SMILESCCn1nc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccco2)c1C
InChIInChI=1S/C15H21N3O3S/c1-4-17-12(3)15(11(2)16-17)22(19,20)18-9-5-7-13(18)14-8-6-10-21-14/h6,8,10,13H,4-5,7,9H2,1-3H3/t13-/m0/s1
InChIKeyGJILLAZBUAAHSW-ZDUSSCGKSA-N
MW323.42 g/mol
LogP2.64
Rot. Bonds4

About 1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole

1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole (PubChem CID 95780301) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole
PubChem CID95780301
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole
SMILESCCn1nc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccco2)c1C
InChIInChI=1S/C15H21N3O3S/c1-4-17-12(3)15(11(2)16-17)22(19,20)18-9-5-7-13(18)14-8-6-10-21-14/h6,8,10,13H,4-5,7,9H2,1-3H3/t13-/m0/s1
InChIKeyGJILLAZBUAAHSW-ZDUSSCGKSA-N
XLogP2.64
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
CID 95770618
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 96510725
2-[(2R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 97018175
2-[(2S)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 124733704
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 97002013
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 20895730
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
CID 97001983
(2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 96510995
(3S,8R)-9-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-14-methyl-2-oxa-9,14-diazatricyclo[14.4.0.03,8]icosa-1(20),16,18-trien-15-one
CID 133067665

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole (CID 95780301) is 1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole is CCn1nc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccco2)c1C.
What is the InChIKey of 1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole?
The InChIKey is GJILLAZBUAAHSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-4-17-12(3)15(11(2)16-17)22(19,20)18-9-5-7-13(18)14-8-6-10-21-14/h6,8,10,13H,4-5,7,9H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole?
1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole has a molecular weight of 323.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 95780301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).