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

C10H15N5O2S — CID 75393095

IUPAC1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
SMILESCCC(C)n1cnc(S(=O)(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C10H15N5O2S/c1-3-8(2)15-6-10(11-7-15)18(16,17)14-9-4-12-13-5-9/h4-8,14H,3H2,1-2H3,(H,12,13)
InChIKeyNZPGNWJPZTZXOL-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.38
Rot. Bonds5

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

1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide (PubChem CID 75393095) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
PubChem CID75393095
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
SMILESCCC(C)n1cnc(S(=O)(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C10H15N5O2S/c1-3-8(2)15-6-10(11-7-15)18(16,17)14-9-4-12-13-5-9/h4-8,14H,3H2,1-2H3,(H,12,13)
InChIKeyNZPGNWJPZTZXOL-UHFFFAOYSA-N
XLogP1.38
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
The IUPAC name of 1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide (CID 75393095) is 1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide is CCC(C)n1cnc(S(=O)(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
The InChIKey is NZPGNWJPZTZXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-3-8(2)15-6-10(11-7-15)18(16,17)14-9-4-12-13-5-9/h4-8,14H,3H2,1-2H3,(H,12,13).
What are the key properties of 1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide?
1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 75393095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).