2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol

C13H22N4O4S — CID 95845141

IUPAC2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
SMILESO=S(=O)(N1CCOCC1)N1CC[C@H](c2cc(CCO)[nH]n2)C1
InChIInChI=1S/C13H22N4O4S/c18-6-2-12-9-13(15-14-12)11-1-3-17(10-11)22(19,20)16-4-7-21-8-5-16/h9,11,18H,1-8,10H2,(H,14,15)/t11-/m0/s1
InChIKeySZQZMAPUZUTIAM-NSHDSACASA-N
MW330.41 g/mol
LogP-0.69
Rot. Bonds5

About 2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol

2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol (PubChem CID 95845141) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
PubChem CID95845141
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
SMILESO=S(=O)(N1CCOCC1)N1CC[C@H](c2cc(CCO)[nH]n2)C1
InChIInChI=1S/C13H22N4O4S/c18-6-2-12-9-13(15-14-12)11-1-3-17(10-11)22(19,20)16-4-7-21-8-5-16/h9,11,18H,1-8,10H2,(H,14,15)/t11-/m0/s1
InChIKeySZQZMAPUZUTIAM-NSHDSACASA-N
XLogP-0.69
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
CID 95840747
2-[3-(1-cyclopentylpyrrolidin-3-yl)-1H-pyrazol-5-yl]ethanol
CID 127252335
[3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110270992
3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110261314
2-[3-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
CID 110271015
2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid
CID 95710485
(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95831432
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine
CID 110270790
3-(1-cyclopentylsulfonylpyrrolidin-3-yl)-5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazole
CID 110261543
2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol
CID 95824466
(3S)-3-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide
CID 95831439
(2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide
CID 18727150

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol (CID 95845141) is 2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol is O=S(=O)(N1CCOCC1)N1CC[C@H](c2cc(CCO)[nH]n2)C1.
What is the InChIKey of 2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The InChIKey is SZQZMAPUZUTIAM-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O4S/c18-6-2-12-9-13(15-14-12)11-1-3-17(10-11)22(19,20)16-4-7-21-8-5-16/h9,11,18H,1-8,10H2,(H,14,15)/t11-/m0/s1.
What are the key properties of 2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol has a molecular weight of 330.41 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 95845141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).