5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole

C13H18N4O2S — CID 61453983

IUPAC5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole
SMILESCC(C)N(C)S(=O)(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H18N4O2S/c1-10(2)17(3)20(18,19)16-12-6-4-11(5-7-12)13-8-9-14-15-13/h4-10,16H,1-3H3,(H,14,15)
InChIKeyVLYLZOQZUNUVLT-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.07
Rot. Bonds5

About 5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole

5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole (PubChem CID 61453983) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole
PubChem CID61453983
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole
SMILESCC(C)N(C)S(=O)(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H18N4O2S/c1-10(2)17(3)20(18,19)16-12-6-4-11(5-7-12)13-8-9-14-15-13/h4-10,16H,1-3H3,(H,14,15)
InChIKeyVLYLZOQZUNUVLT-UHFFFAOYSA-N
XLogP2.07
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole (CID 61453983) is 5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole is CC(C)N(C)S(=O)(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole?
The InChIKey is VLYLZOQZUNUVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10(2)17(3)20(18,19)16-12-6-4-11(5-7-12)13-8-9-14-15-13/h4-10,16H,1-3H3,(H,14,15).
What are the key properties of 5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole?
5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole has a molecular weight of 294.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole is sourced from PubChem (CID 61453983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).