(1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol

C14H19N3O4S — CID 124728531

IUPAC(1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)c2ccco2)cn1
InChIInChI=1S/C14H19N3O4S/c1-16-10-11(9-15-16)13(18)8-12-4-2-6-17(12)22(19,20)14-5-3-7-21-14/h3,5,7,9-10,12-13,18H,2,4,6,8H2,1H3/t12-,13+/m1/s1
InChIKeyDZXLGBIRKZAIEQ-OLZOCXBDSA-N
MW325.39 g/mol
LogP1.29
Rot. Bonds5

About (1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol

(1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 124728531) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is (1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID124728531
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name(1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)c2ccco2)cn1
InChIInChI=1S/C14H19N3O4S/c1-16-10-11(9-15-16)13(18)8-12-4-2-6-17(12)22(19,20)14-5-3-7-21-14/h3,5,7,9-10,12-13,18H,2,4,6,8H2,1H3/t12-,13+/m1/s1
InChIKeyDZXLGBIRKZAIEQ-OLZOCXBDSA-N
XLogP1.29
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol with MolForge

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Related Compounds

(1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol
CID 97075660
1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 79546057
[1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 120875357
[1-(furan-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 120874730
(1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol
CID 97239642
2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide
CID 71989179
(1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 124739947
(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
CID 97224996
(1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124735348
2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
(1R)-2-[(2S)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 99780536
1-phenyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)ethanol
CID 71911232

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of (1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol (CID 124728531) is (1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for (1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for (1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)c2ccco2)cn1.
What is the InChIKey of (1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is DZXLGBIRKZAIEQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-16-10-11(9-15-16)13(18)8-12-4-2-6-17(12)22(19,20)14-5-3-7-21-14/h3,5,7,9-10,12-13,18H,2,4,6,8H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol?
(1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 325.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 124728531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).