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

C18H29N5O3S — CID 129005299

IUPAC3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1CCOC(c2cncn2C)C1
InChIInChI=1S/C18H29N5O3S/c1-12(2)10-23-14(4)18(13(3)20-23)27(24,25)21-15-6-7-26-17(8-15)16-9-19-11-22(16)5/h9,11-12,15,17,21H,6-8,10H2,1-5H3
InChIKeyMIXAPGBZOBMYJB-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.09
Rot. Bonds6

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

3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 129005299) has the molecular formula C18H29N5O3S and a molecular weight of 395.53 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID129005299
Molecular FormulaC18H29N5O3S
Molecular Weight395.53 g/mol
Exact Mass395.20
IUPAC Name3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1CCOC(c2cncn2C)C1
InChIInChI=1S/C18H29N5O3S/c1-12(2)10-23-14(4)18(13(3)20-23)27(24,25)21-15-6-7-26-17(8-15)16-9-19-11-22(16)5/h9,11-12,15,17,21H,6-8,10H2,1-5H3
InChIKeyMIXAPGBZOBMYJB-UHFFFAOYSA-N
XLogP2.09
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide (CID 129005299) is 3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1CCOC(c2cncn2C)C1.
What is the InChIKey of 3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is MIXAPGBZOBMYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3S/c1-12(2)10-23-14(4)18(13(3)20-23)27(24,25)21-15-6-7-26-17(8-15)16-9-19-11-22(16)5/h9,11-12,15,17,21H,6-8,10H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 395.53 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 129005299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).