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

C13H21N5O3S — CID 110288425

IUPAC3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nnc(C(CC(C)C)NS(=O)(=O)c2c(C)n[nH]c2C)o1
InChIInChI=1S/C13H21N5O3S/c1-7(2)6-11(13-17-16-10(5)21-13)18-22(19,20)12-8(3)14-15-9(12)4/h7,11,18H,6H2,1-5H3,(H,14,15)
InChIKeyWXWIIUKCFZKACF-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.78
Rot. Bonds6

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

3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110288425) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide
PubChem CID110288425
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC Name3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nnc(C(CC(C)C)NS(=O)(=O)c2c(C)n[nH]c2C)o1
InChIInChI=1S/C13H21N5O3S/c1-7(2)6-11(13-17-16-10(5)21-13)18-22(19,20)12-8(3)14-15-9(12)4/h7,11,18H,6H2,1-5H3,(H,14,15)
InChIKeyWXWIIUKCFZKACF-UHFFFAOYSA-N
XLogP1.78
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110368560
N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61273722
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110288398
3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 43091250
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79027745
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110288420
3,5-dimethyl-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1H-pyrazole-4-sulfonamide
CID 110285637
N-[4-(dimethylamino)butan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54968744
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 39404732
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103918614
3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 43397195
N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120664979

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide (CID 110288425) is 3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide is Cc1nnc(C(CC(C)C)NS(=O)(=O)c2c(C)n[nH]c2C)o1.
What is the InChIKey of 3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is WXWIIUKCFZKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-7(2)6-11(13-17-16-10(5)21-13)18-22(19,20)12-8(3)14-15-9(12)4/h7,11,18H,6H2,1-5H3,(H,14,15).
What are the key properties of 3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110288425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).