4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole

C16H24N6O2S — CID 121190386

IUPAC4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C16H24N6O2S/c1-10(2)22-12(4)16(11(3)18-22)25(23,24)20-7-14(8-20)21-9-15(17-19-21)13-5-6-13/h9-10,13-14H,5-8H2,1-4H3
InChIKeyMUAJLAXRPAOWCT-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.80
Rot. Bonds5

About 4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole

4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole (PubChem CID 121190386) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole.

Molecular Properties

Compound Name4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole
PubChem CID121190386
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C16H24N6O2S/c1-10(2)22-12(4)16(11(3)18-22)25(23,24)20-7-14(8-20)21-9-15(17-19-21)13-5-6-13/h9-10,13-14H,5-8H2,1-4H3
InChIKeyMUAJLAXRPAOWCT-UHFFFAOYSA-N
XLogP1.80
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole?
The IUPAC name of 4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole (CID 121190386) is 4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole.
What is the SMILES notation for 4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole?
The canonical SMILES for 4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole is Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole?
The InChIKey is MUAJLAXRPAOWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-10(2)22-12(4)16(11(3)18-22)25(23,24)20-7-14(8-20)21-9-15(17-19-21)13-5-6-13/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of 4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole?
4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole has a molecular weight of 364.48 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole is sourced from PubChem (CID 121190386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).