3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole

C13H24N4O2S — CID 104620778

IUPAC3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1cc(NS(=O)(=O)N(C)C2CCCCC2)n[nH]1
InChIInChI=1S/C13H24N4O2S/c1-10(2)12-9-13(15-14-12)16-20(18,19)17(3)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyFKEJMQGDPGNXBU-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.45
Rot. Bonds5

About 3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole

3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole (PubChem CID 104620778) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole
PubChem CID104620778
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1cc(NS(=O)(=O)N(C)C2CCCCC2)n[nH]1
InChIInChI=1S/C13H24N4O2S/c1-10(2)12-9-13(15-14-12)16-20(18,19)17(3)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyFKEJMQGDPGNXBU-UHFFFAOYSA-N
XLogP2.45
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole with MolForge

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Related Compounds

N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 115663305
1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621218
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 112699300
1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620764
3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686443
2-cyclobutyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 103710671
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 104619455
2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686449
3-amino-5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616959
[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane
CID 47034025
1-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 104617525
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616923

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole?
The IUPAC name of 3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole (CID 104620778) is 3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole?
The canonical SMILES for 3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole is CC(C)c1cc(NS(=O)(=O)N(C)C2CCCCC2)n[nH]1.
What is the InChIKey of 3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole?
The InChIKey is FKEJMQGDPGNXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10(2)12-9-13(15-14-12)16-20(18,19)17(3)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole?
3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole has a molecular weight of 300.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 104620778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).