N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide

C15H25N5O2S — CID 29089488

IUPACN-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C15H25N5O2S/c1-7-19(9-14-11(3)17-20(8-2)13(14)5)23(21,22)15-10-18(6)16-12(15)4/h10H,7-9H2,1-6H3
InChIKeyRFIOCALSNUIGER-UHFFFAOYSA-N
MW339.47 g/mol
LogP1.77
Rot. Bonds6

About N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide

N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 29089488) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID29089488
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC NameN-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C15H25N5O2S/c1-7-19(9-14-11(3)17-20(8-2)13(14)5)23(21,22)15-10-18(6)16-12(15)4/h10H,7-9H2,1-6H3
InChIKeyRFIOCALSNUIGER-UHFFFAOYSA-N
XLogP1.77
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 29089488) is N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide is CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1cn(C)nc1C.
What is the InChIKey of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is RFIOCALSNUIGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-7-19(9-14-11(3)17-20(8-2)13(14)5)23(21,22)15-10-18(6)16-12(15)4/h10H,7-9H2,1-6H3.
What are the key properties of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 29089488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).