3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide

C7H10N6O2S — CID 63564835

IUPAC3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ncc[nH]2)c(N)n1
InChIInChI=1S/C7H10N6O2S/c1-13-4-5(6(8)11-13)16(14,15)12-7-9-2-3-10-7/h2-4H,1H3,(H2,8,11)(H2,9,10,12)
InChIKeyJINLGOYQKFUZHN-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.47
Rot. Bonds3

About 3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 63564835) has the molecular formula C7H10N6O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID63564835
Molecular FormulaC7H10N6O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC Name3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ncc[nH]2)c(N)n1
InChIInChI=1S/C7H10N6O2S/c1-13-4-5(6(8)11-13)16(14,15)12-7-9-2-3-10-7/h2-4H,1H3,(H2,8,11)(H2,9,10,12)
InChIKeyJINLGOYQKFUZHN-UHFFFAOYSA-N
XLogP-0.47
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide (CID 63564835) is 3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ncc[nH]2)c(N)n1.
What is the InChIKey of 3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is JINLGOYQKFUZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S/c1-13-4-5(6(8)11-13)16(14,15)12-7-9-2-3-10-7/h2-4H,1H3,(H2,8,11)(H2,9,10,12).
What are the key properties of 3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-imidazol-2-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 63564835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).