(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C13H18ClN5O4S — CID 129325378

IUPAC(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCCc1noc([C@]2(O)CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)n1
InChIInChI=1S/C13H18ClN5O4S/c1-4-9-15-12(23-17-9)13(20)5-6-19(7-13)24(21,22)10-8(2)16-18(3)11(10)14/h20H,4-7H2,1-3H3/t13-/m0/s1
InChIKeyABEUEFCUSYEIIG-ZDUSSCGKSA-N
MW375.84 g/mol
LogP0.61
Rot. Bonds4

About (3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 129325378) has the molecular formula C13H18ClN5O4S and a molecular weight of 375.84 g/mol. Its IUPAC name is (3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID129325378
Molecular FormulaC13H18ClN5O4S
Molecular Weight375.84 g/mol
Exact Mass375.08
IUPAC Name(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCCc1noc([C@]2(O)CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)n1
InChIInChI=1S/C13H18ClN5O4S/c1-4-9-15-12(23-17-9)13(20)5-6-19(7-13)24(21,22)10-8(2)16-18(3)11(10)14/h20H,4-7H2,1-3H3/t13-/m0/s1
InChIKeyABEUEFCUSYEIIG-ZDUSSCGKSA-N
XLogP0.61
TPSA114.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129326671
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol
CID 129004412
4-[(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 129325917
(3R)-1-[(5-chloro-2-fluorophenyl)methylsulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129325841
(3S)-1-[(6-ethoxy-3-pyridinyl)sulfonyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129325461
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol
CID 2777780
6-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 129003119
(3R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol
CID 129327001
1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129001576
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid
CID 56875241
3-[[(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 129327125
4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine
CID 3868687

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 129325378) is (3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is CCc1noc([C@]2(O)CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)n1.
What is the InChIKey of (3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is ABEUEFCUSYEIIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18ClN5O4S/c1-4-9-15-12(23-17-9)13(20)5-6-19(7-13)24(21,22)10-8(2)16-18(3)11(10)14/h20H,4-7H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 375.84 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129325378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).