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

C17H22N4O3S — CID 155211402

IUPAC4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2cc(C3CCNC3)[nH]n2)cc1)N1CCOCC1
InChIInChI=1S/C17H22N4O3S/c22-25(23,21-7-9-24-10-8-21)15-3-1-13(2-4-15)16-11-17(20-19-16)14-5-6-18-12-14/h1-4,11,14,18H,5-10,12H2,(H,19,20)
InChIKeyRNFMHZSPHAYWIO-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.17
Rot. Bonds4

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

4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine (PubChem CID 155211402) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine
PubChem CID155211402
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2cc(C3CCNC3)[nH]n2)cc1)N1CCOCC1
InChIInChI=1S/C17H22N4O3S/c22-25(23,21-7-9-24-10-8-21)15-3-1-13(2-4-15)16-11-17(20-19-16)14-5-6-18-12-14/h1-4,11,14,18H,5-10,12H2,(H,19,20)
InChIKeyRNFMHZSPHAYWIO-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine (CID 155211402) is 4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2cc(C3CCNC3)[nH]n2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine?
The InChIKey is RNFMHZSPHAYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c22-25(23,21-7-9-24-10-8-21)15-3-1-13(2-4-15)16-11-17(20-19-16)14-5-6-18-12-14/h1-4,11,14,18H,5-10,12H2,(H,19,20).
What are the key properties of 4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine?
4-[4-(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-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 155211402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).