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

C14H22N4O3S — CID 75503348

IUPAC3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(C)nn(CC(C)C)c2C)o1
InChIInChI=1S/C14H22N4O3S/c1-9(2)8-18-12(5)14(11(4)17-18)22(19,20)16-7-13-15-6-10(3)21-13/h6,9,16H,7-8H2,1-5H3
InChIKeyGCLFVTRERUBALI-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.93
Rot. Bonds6

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

3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 75503348) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID75503348
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(C)nn(CC(C)C)c2C)o1
InChIInChI=1S/C14H22N4O3S/c1-9(2)8-18-12(5)14(11(4)17-18)22(19,20)16-7-13-15-6-10(3)21-13/h6,9,16H,7-8H2,1-5H3
InChIKeyGCLFVTRERUBALI-UHFFFAOYSA-N
XLogP1.93
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide (CID 75503348) is 3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1cnc(CNS(=O)(=O)c2c(C)nn(CC(C)C)c2C)o1.
What is the InChIKey of 3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is GCLFVTRERUBALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-9(2)8-18-12(5)14(11(4)17-18)22(19,20)16-7-13-15-6-10(3)21-13/h6,9,16H,7-8H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75503348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).