(3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C17H21N3O4S — CID 90593955

IUPAC(3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H21N3O4S/c21-17(15-9-14(18-19-15)16-7-4-8-24-16)20-10-13(11-20)25(22,23)12-5-2-1-3-6-12/h4,7-9,12-13H,1-3,5-6,10-11H2,(H,18,19)
InChIKeyMRPMONAOIRPSIJ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.24
Rot. Bonds4

About (3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

(3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 90593955) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is (3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID90593955
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name(3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H21N3O4S/c21-17(15-9-14(18-19-15)16-7-4-8-24-16)20-10-13(11-20)25(22,23)12-5-2-1-3-6-12/h4,7-9,12-13H,1-3,5-6,10-11H2,(H,18,19)
InChIKeyMRPMONAOIRPSIJ-UHFFFAOYSA-N
XLogP2.24
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 43056712
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
CID 121152613
N-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]methanesulfonamide
CID 51079185
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118877
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 121092502
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 119239257
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759149
(2R)-4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 129415638
(4-tert-butylazepan-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 86962168

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of (3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 90593955) is (3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for (3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for (3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of (3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is MRPMONAOIRPSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c21-17(15-9-14(18-19-15)16-7-4-8-24-16)20-10-13(11-20)25(22,23)12-5-2-1-3-6-12/h4,7-9,12-13H,1-3,5-6,10-11H2,(H,18,19).
What are the key properties of (3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
(3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 363.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 90593955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).