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

C12H19N5O3S — CID 46972158

IUPACN,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)N(C)Cc1nonc1C
InChIInChI=1S/C12H19N5O3S/c1-8(2)17-7-12(10(4)13-17)21(18,19)16(5)6-11-9(3)14-20-15-11/h7-8H,6H2,1-5H3
InChIKeyYVOALWHYXNWIRI-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.28
Rot. Bonds5

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

N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 46972158) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID46972158
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC NameN,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)N(C)Cc1nonc1C
InChIInChI=1S/C12H19N5O3S/c1-8(2)17-7-12(10(4)13-17)21(18,19)16(5)6-11-9(3)14-20-15-11/h7-8H,6H2,1-5H3
InChIKeyYVOALWHYXNWIRI-UHFFFAOYSA-N
XLogP1.28
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 46972158) is N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)cc1S(=O)(=O)N(C)Cc1nonc1C.
What is the InChIKey of N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is YVOALWHYXNWIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-8(2)17-7-12(10(4)13-17)21(18,19)16(5)6-11-9(3)14-20-15-11/h7-8H,6H2,1-5H3.
What are the key properties of N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
N,3-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 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 46972158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).