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

C10H12N6O2S — CID 79503404

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2c(C#N)cnn2C)[nH]1
InChIInChI=1S/C10H12N6O2S/c1-3-8-12-6-9(14-8)19(17,18)15-10-7(4-11)5-13-16(10)2/h5-6,15H,3H2,1-2H3,(H,12,14)
InChIKeyGNPDFELPPHHDGL-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.38
Rot. Bonds4

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

N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 79503404) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID79503404
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2c(C#N)cnn2C)[nH]1
InChIInChI=1S/C10H12N6O2S/c1-3-8-12-6-9(14-8)19(17,18)15-10-7(4-11)5-13-16(10)2/h5-6,15H,3H2,1-2H3,(H,12,14)
InChIKeyGNPDFELPPHHDGL-UHFFFAOYSA-N
XLogP0.38
TPSA116.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide
CID 79504054
N-(4-cyano-1-methylpyrazol-5-yl)-1-methylpyrazole-4-sulfonamide
CID 79504522
N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 79504055
N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79503403
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114388857
5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide
CID 79503202
2-ethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-5-sulfonamide
CID 125443536
2,5-dibromo-N-(4-cyano-1-methylpyrazol-5-yl)-4-methylbenzenesulfonamide
CID 81320259
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide
CID 65098522
4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole
CID 151875563
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 79503404) is N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)Nc2c(C#N)cnn2C)[nH]1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is GNPDFELPPHHDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-3-8-12-6-9(14-8)19(17,18)15-10-7(4-11)5-13-16(10)2/h5-6,15H,3H2,1-2H3,(H,12,14).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79503404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).