N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C15H25N5O3S — CID 91923950

IUPACN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOCCn1c(C)cnc1CCNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C15H25N5O3S/c1-11-10-16-14(20(11)8-9-23-5)6-7-17-24(21,22)15-12(2)18-19(4)13(15)3/h10,17H,6-9H2,1-5H3
InChIKeyNOBGFUYVCBCUJH-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.71
Rot. Bonds8

About N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 91923950) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID91923950
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC NameN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOCCn1c(C)cnc1CCNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C15H25N5O3S/c1-11-10-16-14(20(11)8-9-23-5)6-7-17-24(21,22)15-12(2)18-19(4)13(15)3/h10,17H,6-9H2,1-5H3
InChIKeyNOBGFUYVCBCUJH-UHFFFAOYSA-N
XLogP0.71
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 91923950) is N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is COCCn1c(C)cnc1CCNS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is NOBGFUYVCBCUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-11-10-16-14(20(11)8-9-23-5)6-7-17-24(21,22)15-12(2)18-19(4)13(15)3/h10,17H,6-9H2,1-5H3.
What are the key properties of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 91923950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).