4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine

C14H24N4O3S — CID 95806208

IUPAC4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine
SMILESCc1cc(C)n(C2CCN(S(=O)(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C14H24N4O3S/c1-12-11-13(2)18(15-12)14-3-5-16(6-4-14)22(19,20)17-7-9-21-10-8-17/h11,14H,3-10H2,1-2H3
InChIKeyFGBWGIWLXADQJS-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.71
Rot. Bonds3

About 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine

4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine (PubChem CID 95806208) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine
PubChem CID95806208
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine
SMILESCc1cc(C)n(C2CCN(S(=O)(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C14H24N4O3S/c1-12-11-13(2)18(15-12)14-3-5-16(6-4-14)22(19,20)17-7-9-21-10-8-17/h11,14H,3-10H2,1-2H3
InChIKeyFGBWGIWLXADQJS-UHFFFAOYSA-N
XLogP0.71
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole
CID 21014234
4-[(1-Cyclohexyl-5-methylpyrazol-3-yl)methyl]morpholine
CID 155519936
4-(3,5-Dimethylpyrazol-1-YL)-1-(4-methylpiperidin-1-ylsulfonyl)piperidine
CID 46981278
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-(3-methylbut-2-enyl)morpholine
CID 53558746
1-[4-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 53562126
4-(3,5-Dimethylpyrazol-1-YL)-1-methanesulfonylpiperidine
CID 73439281
4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)morpholine
CID 52141999
N,N-dimethyl-2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-sulfonamide
CID 56884063
4-[(3,5-Dimethylpyrazolyl)sulfonyl]morpholine
CID 2216936
5-(Methylsulfonyl)-2-{[2-(trifluoromethyl)-4-morpholinyl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56895765
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
CID 53555981
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 72043977

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine (CID 95806208) is 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine is Cc1cc(C)n(C2CCN(S(=O)(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine?
The InChIKey is FGBWGIWLXADQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-12-11-13(2)18(15-12)14-3-5-16(6-4-14)22(19,20)17-7-9-21-10-8-17/h11,14H,3-10H2,1-2H3.
What are the key properties of 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine?
4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine has a molecular weight of 328.44 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 95806208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).