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

C17H21N3O5S — CID 27452968

IUPAC(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cc1
InChIInChI=1S/C17H21N3O5S/c1-12-16(26(22,23)19-8-10-25-11-9-19)13(2)20(18-12)17(21)14-4-6-15(24-3)7-5-14/h4-7H,8-11H2,1-3H3
InChIKeyOSJKKWMELGRVMD-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.22
Rot. Bonds4

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

(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 27452968) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone
PubChem CID27452968
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cc1
InChIInChI=1S/C17H21N3O5S/c1-12-16(26(22,23)19-8-10-25-11-9-19)13(2)20(18-12)17(21)14-4-6-15(24-3)7-5-14/h4-7H,8-11H2,1-3H3
InChIKeyOSJKKWMELGRVMD-UHFFFAOYSA-N
XLogP1.22
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-nitrophenyl)methanone
CID 27452987
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(4-bromophenyl)-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone
CID 27452918
(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
CID 27655873
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90593367
(4-methoxyphenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 42993326
1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone
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CID 22578982
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 50794654
(3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 53005346
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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone (CID 27452968) is (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cc1.
What is the InChIKey of (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is OSJKKWMELGRVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-12-16(26(22,23)19-8-10-25-11-9-19)13(2)20(18-12)17(21)14-4-6-15(24-3)7-5-14/h4-7H,8-11H2,1-3H3.
What are the key properties of (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 379.44 g/mol, XLogP of 1.22, 4 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)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 27452968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).