1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide

C7H9N5O2S — CID 62373633

IUPAC1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C7H9N5O2S/c1-12-4-7(8-5-12)15(13,14)11-6-2-9-10-3-6/h2-5,11H,1H3,(H,9,10)
InChIKeyKQNFJLALSRBLAJ-UHFFFAOYSA-N
MW227.25 g/mol
LogP-0.06
Rot. Bonds3

About 1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide

1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide (PubChem CID 62373633) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
PubChem CID62373633
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC Name1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C7H9N5O2S/c1-12-4-7(8-5-12)15(13,14)11-6-2-9-10-3-6/h2-5,11H,1H3,(H,9,10)
InChIKeyKQNFJLALSRBLAJ-UHFFFAOYSA-N
XLogP-0.06
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide (CID 62373633) is 1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
The InChIKey is KQNFJLALSRBLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c1-12-4-7(8-5-12)15(13,14)11-6-2-9-10-3-6/h2-5,11H,1H3,(H,9,10).
What are the key properties of 1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide has a molecular weight of 227.25 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 62373633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).