(3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone

C15H23N3O4S — CID 121141365

IUPAC(3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C15H23N3O4S/c1-17-10-13(14(16-17)22-2)15(19)18-8-12(9-18)23(20,21)11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3
InChIKeyMCJUGOAYIHESSH-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.00
Rot. Bonds4

About (3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone

(3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone (PubChem CID 121141365) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
PubChem CID121141365
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C15H23N3O4S/c1-17-10-13(14(16-17)22-2)15(19)18-8-12(9-18)23(20,21)11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3
InChIKeyMCJUGOAYIHESSH-UHFFFAOYSA-N
XLogP1.00
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 40805287
(3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 71809296
(2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
CID 71809328
[(3S)-3-(4-fluorophenyl)azepan-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 99903022
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
(3-cyclohexylsulfonylazetidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 90593960
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055
(3-methoxy-1-methylpyrazol-4-yl)-(3-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 131703866
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122248430
2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone
CID 129452367
2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928494
[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 121140177

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The IUPAC name of (3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone (CID 121141365) is (3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone is COc1nn(C)cc1C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of (3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The InChIKey is MCJUGOAYIHESSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-17-10-13(14(16-17)22-2)15(19)18-8-12(9-18)23(20,21)11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3.
What are the key properties of (3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone?
(3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone has a molecular weight of 341.43 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 121141365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).