1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide

C9H13N5O2S — CID 55260408

IUPAC1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(C)c(C)n2)n[nH]1
InChIInChI=1S/C9H13N5O2S/c1-6-4-8(12-11-6)13-17(15,16)9-5-14(3)7(2)10-9/h4-5H,1-3H3,(H2,11,12,13)
InChIKeyLIVUNAOQVRNMLP-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.56
Rot. Bonds3

About 1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide

1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide (PubChem CID 55260408) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide
PubChem CID55260408
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(C)c(C)n2)n[nH]1
InChIInChI=1S/C9H13N5O2S/c1-6-4-8(12-11-6)13-17(15,16)9-5-14(3)7(2)10-9/h4-5H,1-3H3,(H2,11,12,13)
InChIKeyLIVUNAOQVRNMLP-UHFFFAOYSA-N
XLogP0.56
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide (CID 55260408) is 1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide is Cc1cc(NS(=O)(=O)c2cn(C)c(C)n2)n[nH]1.
What is the InChIKey of 1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide?
The InChIKey is LIVUNAOQVRNMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-6-4-8(12-11-6)13-17(15,16)9-5-14(3)7(2)10-9/h4-5H,1-3H3,(H2,11,12,13).
What are the key properties of 1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide?
1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 55260408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).