3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one

C23H25N3O4S — CID 47035188

IUPAC3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCS(=O)(=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C23H25N3O4S/c27-22(25-12-14-30-15-13-25)11-16-31(28,29)18-20-17-26(21-9-5-2-6-10-21)24-23(20)19-7-3-1-4-8-19/h1-10,17H,11-16,18H2
InChIKeyCBRSHWONTCQLNO-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.70
Rot. Bonds7

About 3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one

3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 47035188) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
PubChem CID47035188
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCS(=O)(=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C23H25N3O4S/c27-22(25-12-14-30-15-13-25)11-16-31(28,29)18-20-17-26(21-9-5-2-6-10-21)24-23(20)19-7-3-1-4-8-19/h1-10,17H,11-16,18H2
InChIKeyCBRSHWONTCQLNO-UHFFFAOYSA-N
XLogP2.70
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one
CID 46295896
3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2228001
3-[(2-methylphenyl)methylsulfonyl]-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 3244124
3-(4-fluorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazole-4-carboxamide
CID 16573857
N-[(1,3-diphenylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 24606874
4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17427652
N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 2827797
(3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 94799862
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202076
N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873
(1,3-diphenylpyrazol-4-yl)methyl 1,4-dioxane-2-carboxylate
CID 71896521
4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 46644099

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one (CID 47035188) is 3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one is O=C(CCS(=O)(=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1.
What is the InChIKey of 3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is CBRSHWONTCQLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c27-22(25-12-14-30-15-13-25)11-16-31(28,29)18-20-17-26(21-9-5-2-6-10-21)24-23(20)19-7-3-1-4-8-19/h1-10,17H,11-16,18H2.
What are the key properties of 3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one?
3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 439.54 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 47035188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).