1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide

C7H9N5O2S — CID 14252766

IUPAC1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide
SMILESCn1nccc1-n1ccnc1S(N)(=O)=O
InChIInChI=1S/C7H9N5O2S/c1-11-6(2-3-10-11)12-5-4-9-7(12)15(8,13)14/h2-5H,1H3,(H2,8,13,14)
InChIKeyXRTHQINPCIWAGC-UHFFFAOYSA-N
MW227.25 g/mol
LogP-0.75
Rot. Bonds2

About 1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide

1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide (PubChem CID 14252766) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide
PubChem CID14252766
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC Name1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide
SMILESCn1nccc1-n1ccnc1S(N)(=O)=O
InChIInChI=1S/C7H9N5O2S/c1-11-6(2-3-10-11)12-5-4-9-7(12)15(8,13)14/h2-5H,1H3,(H2,8,13,14)
InChIKeyXRTHQINPCIWAGC-UHFFFAOYSA-N
XLogP-0.75
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide?
The IUPAC name of 1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide (CID 14252766) is 1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide is Cn1nccc1-n1ccnc1S(N)(=O)=O.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide?
The InChIKey is XRTHQINPCIWAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c1-11-6(2-3-10-11)12-5-4-9-7(12)15(8,13)14/h2-5H,1H3,(H2,8,13,14).
What are the key properties of 1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide?
1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide has a molecular weight of 227.25 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)imidazole-2-sulfonamide is sourced from PubChem (CID 14252766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).