5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole

C9H19N5O2S — CID 79530009

IUPAC5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
SMILESCCCCN(C)S(=O)(=O)NCc1cn[nH]c1N
InChIInChI=1S/C9H19N5O2S/c1-3-4-5-14(2)17(15,16)12-7-8-6-11-13-9(8)10/h6,12H,3-5,7H2,1-2H3,(H3,10,11,13)
InChIKeyMRGGBNDANBDEDD-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.06
Rot. Bonds7

About 5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole

5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole (PubChem CID 79530009) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
PubChem CID79530009
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
SMILESCCCCN(C)S(=O)(=O)NCc1cn[nH]c1N
InChIInChI=1S/C9H19N5O2S/c1-3-4-5-14(2)17(15,16)12-7-8-6-11-13-9(8)10/h6,12H,3-5,7H2,1-2H3,(H3,10,11,13)
InChIKeyMRGGBNDANBDEDD-UHFFFAOYSA-N
XLogP0.06
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole?
The IUPAC name of 5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole (CID 79530009) is 5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole.
What is the SMILES notation for 5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole?
The canonical SMILES for 5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole is CCCCN(C)S(=O)(=O)NCc1cn[nH]c1N.
What is the InChIKey of 5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole?
The InChIKey is MRGGBNDANBDEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-3-4-5-14(2)17(15,16)12-7-8-6-11-13-9(8)10/h6,12H,3-5,7H2,1-2H3,(H3,10,11,13).
What are the key properties of 5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole?
5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole has a molecular weight of 261.35 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole is sourced from PubChem (CID 79530009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).