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

C15H15N5O4S — CID 121152613

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CN(C(=O)c2cc(-c3ccco3)[nH]n2)C1
InChIInChI=1S/C15H15N5O4S/c1-19-5-4-16-15(19)25(22,23)10-8-20(9-10)14(21)12-7-11(17-18-12)13-3-2-6-24-13/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyRSBDSTJSEFIFTE-UHFFFAOYSA-N
MW361.38 g/mol
LogP0.70
Rot. Bonds4

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

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone (PubChem CID 121152613) has the molecular formula C15H15N5O4S and a molecular weight of 361.38 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
PubChem CID121152613
Molecular FormulaC15H15N5O4S
Molecular Weight361.38 g/mol
Exact Mass361.08
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CN(C(=O)c2cc(-c3ccco3)[nH]n2)C1
InChIInChI=1S/C15H15N5O4S/c1-19-5-4-16-15(19)25(22,23)10-8-20(9-10)14(21)12-7-11(17-18-12)13-3-2-6-24-13/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyRSBDSTJSEFIFTE-UHFFFAOYSA-N
XLogP0.70
TPSA114.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-cyclohexylsulfonylazetidin-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 90593955
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CID 171139188
N-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]methanesulfonamide
CID 51079185
1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118877
furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
CID 91625053
[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 91814576
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CID 35554692
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541109
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879017
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 95341170
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone (CID 121152613) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone is Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2cc(-c3ccco3)[nH]n2)C1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone?
The InChIKey is RSBDSTJSEFIFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S/c1-19-5-4-16-15(19)25(22,23)10-8-20(9-10)14(21)12-7-11(17-18-12)13-3-2-6-24-13/h2-7,10H,8-9H2,1H3,(H,17,18).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone has a molecular weight of 361.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone is sourced from PubChem (CID 121152613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).