5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide

C9H14N6O2S — CID 54958616

IUPAC5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H14N6O2S/c1-7(5-15-3-2-11-6-15)14-18(16,17)8-4-12-13-9(8)10/h2-4,6-7,14H,5H2,1H3,(H3,10,12,13)
InChIKeyPBLIWQAFLSLJFX-UHFFFAOYSA-N
MW270.32 g/mol
LogP-0.44
Rot. Bonds5

About 5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide

5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 54958616) has the molecular formula C9H14N6O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is 5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID54958616
Molecular FormulaC9H14N6O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H14N6O2S/c1-7(5-15-3-2-11-6-15)14-18(16,17)8-4-12-13-9(8)10/h2-4,6-7,14H,5H2,1H3,(H3,10,12,13)
InChIKeyPBLIWQAFLSLJFX-UHFFFAOYSA-N
XLogP-0.44
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide (CID 54958616) is 5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide is CC(Cn1ccnc1)NS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is PBLIWQAFLSLJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2S/c1-7(5-15-3-2-11-6-15)14-18(16,17)8-4-12-13-9(8)10/h2-4,6-7,14H,5H2,1H3,(H3,10,12,13).
What are the key properties of 5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 270.32 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54958616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).