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

C11H21N5O2S — CID 79529721

IUPAC5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
SMILESCN(C1CCCCC1)S(=O)(=O)NCc1cn[nH]c1N
InChIInChI=1S/C11H21N5O2S/c1-16(10-5-3-2-4-6-10)19(17,18)14-8-9-7-13-15-11(9)12/h7,10,14H,2-6,8H2,1H3,(H3,12,13,15)
InChIKeyXYZYJHJNGZVQSB-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.59
Rot. Bonds5

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

5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole (PubChem CID 79529721) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
PubChem CID79529721
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
SMILESCN(C1CCCCC1)S(=O)(=O)NCc1cn[nH]c1N
InChIInChI=1S/C11H21N5O2S/c1-16(10-5-3-2-4-6-10)19(17,18)14-8-9-7-13-15-11(9)12/h7,10,14H,2-6,8H2,1H3,(H3,12,13,15)
InChIKeyXYZYJHJNGZVQSB-UHFFFAOYSA-N
XLogP0.59
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole?
The IUPAC name of 5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole (CID 79529721) is 5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole.
What is the SMILES notation for 5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole?
The canonical SMILES for 5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole is CN(C1CCCCC1)S(=O)(=O)NCc1cn[nH]c1N.
What is the InChIKey of 5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole?
The InChIKey is XYZYJHJNGZVQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-16(10-5-3-2-4-6-10)19(17,18)14-8-9-7-13-15-11(9)12/h7,10,14H,2-6,8H2,1H3,(H3,12,13,15).
What are the key properties of 5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole?
5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole has a molecular weight of 287.39 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole is sourced from PubChem (CID 79529721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).