N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide

C11H14N6O2S — CID 79504055

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C#N)cnn2C)nc1C
InChIInChI=1S/C11H14N6O2S/c1-4-17-7-10(14-8(17)2)20(18,19)15-11-9(5-12)6-13-16(11)3/h6-7,15H,4H2,1-3H3
InChIKeyVNKQAADNULUYFC-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.62
Rot. Bonds4

About N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 79504055) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID79504055
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C#N)cnn2C)nc1C
InChIInChI=1S/C11H14N6O2S/c1-4-17-7-10(14-8(17)2)20(18,19)15-11-9(5-12)6-13-16(11)3/h6-7,15H,4H2,1-3H3
InChIKeyVNKQAADNULUYFC-UHFFFAOYSA-N
XLogP0.62
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 79504055) is N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2c(C#N)cnn2C)nc1C.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is VNKQAADNULUYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-4-17-7-10(14-8(17)2)20(18,19)15-11-9(5-12)6-13-16(11)3/h6-7,15H,4H2,1-3H3.
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 294.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 79504055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).