3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide

C16H26N4O3S — CID 60523767

IUPAC3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1c(C)nn(Cc2cc(C)no2)c1C
InChIInChI=1S/C16H26N4O3S/c1-6-8-19(9-7-2)24(21,22)16-13(4)17-20(14(16)5)11-15-10-12(3)18-23-15/h10H,6-9,11H2,1-5H3
InChIKeyAZLFNRXBWMXNBA-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.66
Rot. Bonds8

About 3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide

3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide (PubChem CID 60523767) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide
PubChem CID60523767
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1c(C)nn(Cc2cc(C)no2)c1C
InChIInChI=1S/C16H26N4O3S/c1-6-8-19(9-7-2)24(21,22)16-13(4)17-20(14(16)5)11-15-10-12(3)18-23-15/h10H,6-9,11H2,1-5H3
InChIKeyAZLFNRXBWMXNBA-UHFFFAOYSA-N
XLogP2.66
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide (CID 60523767) is 3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide is CCCN(CCC)S(=O)(=O)c1c(C)nn(Cc2cc(C)no2)c1C.
What is the InChIKey of 3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide?
The InChIKey is AZLFNRXBWMXNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-6-8-19(9-7-2)24(21,22)16-13(4)17-20(14(16)5)11-15-10-12(3)18-23-15/h10H,6-9,11H2,1-5H3.
What are the key properties of 3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide?
3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide has a molecular weight of 354.48 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide is sourced from PubChem (CID 60523767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).