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

C12H19N5O3S — CID 110368560

IUPAC3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1nnc(C(C)C)o1
InChIInChI=1S/C12H19N5O3S/c1-7(2)12-17-16-10(20-12)5-6-13-21(18,19)11-8(3)14-15-9(11)4/h7,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyAERNILKUCCJDFY-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.05
Rot. Bonds6

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

3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110368560) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID110368560
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1nnc(C(C)C)o1
InChIInChI=1S/C12H19N5O3S/c1-7(2)12-17-16-10(20-12)5-6-13-21(18,19)11-8(3)14-15-9(11)4/h7,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyAERNILKUCCJDFY-UHFFFAOYSA-N
XLogP1.05
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 110321268
3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110660694
2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110368567
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110368533
3,5-dimethyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1H-pyrazole-4-sulfonamide
CID 110288425
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide
CID 115901933
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
2-chloro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110368569
3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide
CID 115901976
3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110731916

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 110368560) is 3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCc1nnc(C(C)C)o1.
What is the InChIKey of 3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is AERNILKUCCJDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-7(2)12-17-16-10(20-12)5-6-13-21(18,19)11-8(3)14-15-9(11)4/h7,13H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 1.05, 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-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110368560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).