N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide

C9H13N5O2S — CID 62999856

IUPACN-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cnc(C)[nH]2)cn1
InChIInChI=1S/C9H13N5O2S/c1-3-14-6-8(4-11-14)13-17(15,16)9-5-10-7(2)12-9/h4-6,13H,3H2,1-2H3,(H,10,12)
InChIKeyZWGODZKWUGNPLZ-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.74
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide

N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 62999856) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID62999856
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cnc(C)[nH]2)cn1
InChIInChI=1S/C9H13N5O2S/c1-3-14-6-8(4-11-14)13-17(15,16)9-5-10-7(2)12-9/h4-6,13H,3H2,1-2H3,(H,10,12)
InChIKeyZWGODZKWUGNPLZ-UHFFFAOYSA-N
XLogP0.74
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide (CID 62999856) is N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide is CCn1cc(NS(=O)(=O)c2cnc(C)[nH]2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is ZWGODZKWUGNPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-3-14-6-8(4-11-14)13-17(15,16)9-5-10-7(2)12-9/h4-6,13H,3H2,1-2H3,(H,10,12).
What are the key properties of N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 62999856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).