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

C8H11N5O2S — CID 62061603

IUPAC1,2-dimethyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cn[nH]c2)cn1C
InChIInChI=1S/C8H11N5O2S/c1-6-11-8(5-13(6)2)16(14,15)12-7-3-9-10-4-7/h3-5,12H,1-2H3,(H,9,10)
InChIKeyDNZOMKJJFFCECI-UHFFFAOYSA-N
MW241.28 g/mol
LogP0.25
Rot. Bonds3

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

1,2-dimethyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide (PubChem CID 62061603) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is 1,2-dimethyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
PubChem CID62061603
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name1,2-dimethyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cn[nH]c2)cn1C
InChIInChI=1S/C8H11N5O2S/c1-6-11-8(5-13(6)2)16(14,15)12-7-3-9-10-4-7/h3-5,12H,1-2H3,(H,9,10)
InChIKeyDNZOMKJJFFCECI-UHFFFAOYSA-N
XLogP0.25
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 50.25
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-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide (CID 62061603) is 1,2-dimethyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2cn[nH]c2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
The InChIKey is DNZOMKJJFFCECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-6-11-8(5-13(6)2)16(14,15)12-7-3-9-10-4-7/h3-5,12H,1-2H3,(H,9,10).
What are the key properties of 1,2-dimethyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
1,2-dimethyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide has a molecular weight of 241.28 g/mol, XLogP of 0.25, 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-(1H-pyrazol-4-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 62061603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).