4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole

C9H19N5O2S — CID 54982746

IUPAC4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1CNS(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H19N5O2S/c1-8-9(6-11-13-8)7-12-17(15,16)14(2)5-3-4-10/h6,12H,3-5,7,10H2,1-2H3,(H,11,13)
InChIKeyRVRHWRZHMGVTCO-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.67
Rot. Bonds7

About 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole

4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole (PubChem CID 54982746) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole
PubChem CID54982746
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1CNS(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H19N5O2S/c1-8-9(6-11-13-8)7-12-17(15,16)14(2)5-3-4-10/h6,12H,3-5,7,10H2,1-2H3,(H,11,13)
InChIKeyRVRHWRZHMGVTCO-UHFFFAOYSA-N
XLogP-0.67
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 ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole with MolForge

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Related Compounds

5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
CID 79530009
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene
CID 54952251
2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole
CID 114129362
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61022033
N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971
N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 83617756
3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61004286
6-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62151905
4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
CID 55142109
2-(aminomethyl)-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015204
3-amino-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61126378

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole?
The IUPAC name of 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole (CID 54982746) is 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole?
The canonical SMILES for 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole is Cc1[nH]ncc1CNS(=O)(=O)N(C)CCCN.
What is the InChIKey of 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole?
The InChIKey is RVRHWRZHMGVTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-8-9(6-11-13-8)7-12-17(15,16)14(2)5-3-4-10/h6,12H,3-5,7,10H2,1-2H3,(H,11,13).
What are the key properties of 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole?
4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole has a molecular weight of 261.35 g/mol, XLogP of -0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole is sourced from PubChem (CID 54982746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).