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

C13H21N5O3S — CID 95850117

IUPACN,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)cc1S(=O)(=O)N(C)Cc1nonc1C
InChIInChI=1S/C13H21N5O3S/c1-9(2)6-18-8-13(11(4)14-18)22(19,20)17(5)7-12-10(3)15-21-16-12/h8-9H,6-7H2,1-5H3
InChIKeyOGVSKRRNCYSSNH-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.36
Rot. Bonds6

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

N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 95850117) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID95850117
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC NameN,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)cc1S(=O)(=O)N(C)Cc1nonc1C
InChIInChI=1S/C13H21N5O3S/c1-9(2)6-18-8-13(11(4)14-18)22(19,20)17(5)7-12-10(3)15-21-16-12/h8-9H,6-7H2,1-5H3
InChIKeyOGVSKRRNCYSSNH-UHFFFAOYSA-N
XLogP1.36
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.36
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-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide (CID 95850117) is N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(CC(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-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is OGVSKRRNCYSSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-9(2)6-18-8-13(11(4)14-18)22(19,20)17(5)7-12-10(3)15-21-16-12/h8-9H,6-7H2,1-5H3.
What are the key properties of N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 1.36, 6 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-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 95850117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).