(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone

C18H23N3O5S — CID 27655873

IUPAC(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)n1nc(C)c(S(=O)(=O)N2CCOCC2)c1C
InChIInChI=1S/C18H23N3O5S/c1-4-26-16-8-6-5-7-15(16)18(22)21-14(3)17(13(2)19-21)27(23,24)20-9-11-25-12-10-20/h5-8H,4,9-12H2,1-3H3
InChIKeyCGJANHBQXYJCPC-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.61
Rot. Bonds5

About (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone

(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone (PubChem CID 27655873) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
PubChem CID27655873
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)n1nc(C)c(S(=O)(=O)N2CCOCC2)c1C
InChIInChI=1S/C18H23N3O5S/c1-4-26-16-8-6-5-7-15(16)18(22)21-14(3)17(13(2)19-21)27(23,24)20-9-11-25-12-10-20/h5-8H,4,9-12H2,1-3H3
InChIKeyCGJANHBQXYJCPC-UHFFFAOYSA-N
XLogP1.61
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
CID 18565315
(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone
CID 27452968
(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-ethoxyphenyl)methanone
CID 27652480
(3,4-diethoxyphenyl)-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone
CID 22578982
(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-nitrophenyl)methanone
CID 27452987
(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078819
4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 78881093
N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
CID 8561430
4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 22579045
[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-(2-nitrophenyl)methanone
CID 27453157
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-ethylphenyl)propanamide
CID 46345140
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone (CID 27655873) is (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)n1nc(C)c(S(=O)(=O)N2CCOCC2)c1C.
What is the InChIKey of (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is CGJANHBQXYJCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-4-26-16-8-6-5-7-15(16)18(22)21-14(3)17(13(2)19-21)27(23,24)20-9-11-25-12-10-20/h5-8H,4,9-12H2,1-3H3.
What are the key properties of (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 393.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 27655873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).