1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide

C12H13F2N5O3S — CID 166337284

IUPAC1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide
SMILESCc1noc(C2(NS(=O)(=O)c3ccn(C4CC4(F)F)n3)CC2)n1
InChIInChI=1S/C12H13F2N5O3S/c1-7-15-10(22-17-7)11(3-4-11)18-23(20,21)9-2-5-19(16-9)8-6-12(8,13)14/h2,5,8,18H,3-4,6H2,1H3
InChIKeyDTHGKVDGZBWDDS-UHFFFAOYSA-N
MW345.33 g/mol
LogP1.12
Rot. Bonds5

About 1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide

1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide (PubChem CID 166337284) has the molecular formula C12H13F2N5O3S and a molecular weight of 345.33 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide
PubChem CID166337284
Molecular FormulaC12H13F2N5O3S
Molecular Weight345.33 g/mol
Exact Mass345.07
IUPAC Name1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide
SMILESCc1noc(C2(NS(=O)(=O)c3ccn(C4CC4(F)F)n3)CC2)n1
InChIInChI=1S/C12H13F2N5O3S/c1-7-15-10(22-17-7)11(3-4-11)18-23(20,21)9-2-5-19(16-9)8-6-12(8,13)14/h2,5,8,18H,3-4,6H2,1H3
InChIKeyDTHGKVDGZBWDDS-UHFFFAOYSA-N
XLogP1.12
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide?
The IUPAC name of 1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide (CID 166337284) is 1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide is Cc1noc(C2(NS(=O)(=O)c3ccn(C4CC4(F)F)n3)CC2)n1.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide?
The InChIKey is DTHGKVDGZBWDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O3S/c1-7-15-10(22-17-7)11(3-4-11)18-23(20,21)9-2-5-19(16-9)8-6-12(8,13)14/h2,5,8,18H,3-4,6H2,1H3.
What are the key properties of 1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide?
1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide has a molecular weight of 345.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopropyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 166337284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).