4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole

C13H27N5O2S — CID 106069841

IUPAC4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole
SMILESCCNCCCN(C)S(=O)(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H27N5O2S/c1-6-14-8-7-9-17(4)21(19,20)15-10-13-11(2)16-18(5)12(13)3/h14-15H,6-10H2,1-5H3
InChIKeyHFHBLRGHWTXYLV-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.30
Rot. Bonds9

About 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole

4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole (PubChem CID 106069841) has the molecular formula C13H27N5O2S and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole
PubChem CID106069841
Molecular FormulaC13H27N5O2S
Molecular Weight317.46 g/mol
Exact Mass317.19
IUPAC Name4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole
SMILESCCNCCCN(C)S(=O)(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H27N5O2S/c1-6-14-8-7-9-17(4)21(19,20)15-10-13-11(2)16-18(5)12(13)3/h14-15H,6-10H2,1-5H3
InChIKeyHFHBLRGHWTXYLV-UHFFFAOYSA-N
XLogP0.30
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide
CID 51105059
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]imidazole
CID 106018170
1-ethyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111951593
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole
CID 106085278
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
CID 106094103
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
CID 114141697
3-(4-methylpiperazin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28656946
2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine
CID 106066888
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide
CID 51105102

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole?
The IUPAC name of 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole (CID 106069841) is 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole is CCNCCCN(C)S(=O)(=O)NCc1c(C)nn(C)c1C.
What is the InChIKey of 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole?
The InChIKey is HFHBLRGHWTXYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2S/c1-6-14-8-7-9-17(4)21(19,20)15-10-13-11(2)16-18(5)12(13)3/h14-15H,6-10H2,1-5H3.
What are the key properties of 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole?
4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole has a molecular weight of 317.46 g/mol, XLogP of 0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole is sourced from PubChem (CID 106069841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).