3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

C23H33N5O5S — CID 50794654

IUPAC3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(N2CCN(C(=O)CCn3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)CC2)c1
InChIInChI=1S/C23H33N5O5S/c1-18-23(34(30,31)27-13-15-33-16-14-27)19(2)28(24-18)8-7-22(29)26-11-9-25(10-12-26)20-5-4-6-21(17-20)32-3/h4-6,17H,7-16H2,1-3H3
InChIKeyLGSWVGQULSVMHL-UHFFFAOYSA-N
MW491.61 g/mol
LogP1.27
Rot. Bonds7

About 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 50794654) has the molecular formula C23H33N5O5S and a molecular weight of 491.61 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID50794654
Molecular FormulaC23H33N5O5S
Molecular Weight491.61 g/mol
Exact Mass491.22
IUPAC Name3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(N2CCN(C(=O)CCn3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)CC2)c1
InChIInChI=1S/C23H33N5O5S/c1-18-23(34(30,31)27-13-15-33-16-14-27)19(2)28(24-18)8-7-22(29)26-11-9-25(10-12-26)20-5-4-6-21(17-20)32-3/h4-6,17H,7-16H2,1-3H3
InChIKeyLGSWVGQULSVMHL-UHFFFAOYSA-N
XLogP1.27
TPSA97.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propan-1-one
CID 46345151
N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
CID 46345192
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 92710873
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 46345139
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 38601130
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-ethylphenyl)propanamide
CID 46345140
3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 38601321
1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 53078931
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688472
4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 8668021
N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345046
N-[[4-(dimethylamino)phenyl]methyl]-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
CID 46345195

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 50794654) is 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1cccc(N2CCN(C(=O)CCn3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)CC2)c1.
What is the InChIKey of 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is LGSWVGQULSVMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O5S/c1-18-23(34(30,31)27-13-15-33-16-14-27)19(2)28(24-18)8-7-22(29)26-11-9-25(10-12-26)20-5-4-6-21(17-20)32-3/h4-6,17H,7-16H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 491.61 g/mol, XLogP of 1.27, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 50794654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).