3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide

C12H19N5O3S — CID 131889585

IUPAC3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nonc1CNS(=O)(=O)c1c(C)nn(C(C)C)c1C
InChIInChI=1S/C12H19N5O3S/c1-7(2)17-10(5)12(9(4)14-17)21(18,19)13-6-11-8(3)15-20-16-11/h7,13H,6H2,1-5H3
InChIKeyRJNPMRSHNHKBKE-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.25
Rot. Bonds5

About 3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide

3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 131889585) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID131889585
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nonc1CNS(=O)(=O)c1c(C)nn(C(C)C)c1C
InChIInChI=1S/C12H19N5O3S/c1-7(2)17-10(5)12(9(4)14-17)21(18,19)13-6-11-8(3)15-20-16-11/h7,13H,6H2,1-5H3
InChIKeyRJNPMRSHNHKBKE-UHFFFAOYSA-N
XLogP1.25
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 131889585) is 3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nonc1CNS(=O)(=O)c1c(C)nn(C(C)C)c1C.
What is the InChIKey of 3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is RJNPMRSHNHKBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-7(2)17-10(5)12(9(4)14-17)21(18,19)13-6-11-8(3)15-20-16-11/h7,13H,6H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 131889585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).