4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine

C17H22N4O3S — CID 155211407

IUPAC4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(-c2cc(C3CCNC3)[nH]n2)c1)N1CCOCC1
InChIInChI=1S/C17H22N4O3S/c22-25(23,21-6-8-24-9-7-21)15-3-1-2-13(10-15)16-11-17(20-19-16)14-4-5-18-12-14/h1-3,10-11,14,18H,4-9,12H2,(H,19,20)
InChIKeyKYGXXGUXEWKKJX-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.17
Rot. Bonds4

About 4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine

4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine (PubChem CID 155211407) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine
PubChem CID155211407
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(-c2cc(C3CCNC3)[nH]n2)c1)N1CCOCC1
InChIInChI=1S/C17H22N4O3S/c22-25(23,21-6-8-24-9-7-21)15-3-1-2-13(10-15)16-11-17(20-19-16)14-4-5-18-12-14/h1-3,10-11,14,18H,4-9,12H2,(H,19,20)
InChIKeyKYGXXGUXEWKKJX-UHFFFAOYSA-N
XLogP1.17
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-5-(5-neopentyl-1H-pyrazol-3-yl)phenylsulfonyl)morpholine
CID 44591241
4-(5-(5-(cyclohexylmethyl)-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591350
4-(5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591351
N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
CID 72121237
US11352339, Example 10
CID 130454423
US11352339, Example 13
CID 130454490
1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 53165426
4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine
CID 11098358
3,5-dimethyl-N-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 129618187
N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide
CID 52918615
1-[2-(fluoromethyl)phenyl]sulfonyl-4-(3-piperidin-4-yl-1H-pyrazol-5-yl)piperidine
CID 166397913
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine
CID 45182370

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine (CID 155211407) is 4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine is O=S(=O)(c1cccc(-c2cc(C3CCNC3)[nH]n2)c1)N1CCOCC1.
What is the InChIKey of 4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine?
The InChIKey is KYGXXGUXEWKKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c22-25(23,21-6-8-24-9-7-21)15-3-1-2-13(10-15)16-11-17(20-19-16)14-4-5-18-12-14/h1-3,10-11,14,18H,4-9,12H2,(H,19,20).
What are the key properties of 4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine?
4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine has a molecular weight of 362.46 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 155211407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).