3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole

C9H19N5O3S — CID 114255737

IUPAC3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole
SMILESCOc1cc(NS(=O)(=O)N(C)CCCN)nn1C
InChIInChI=1S/C9H19N5O3S/c1-13(6-4-5-10)18(15,16)12-8-7-9(17-3)14(2)11-8/h7H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyBVSLHTWQQOSBPT-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.63
Rot. Bonds7

About 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole

3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole (PubChem CID 114255737) has the molecular formula C9H19N5O3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole.

Molecular Properties

Compound Name3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole
PubChem CID114255737
Molecular FormulaC9H19N5O3S
Molecular Weight277.35 g/mol
Exact Mass277.12
IUPAC Name3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole
SMILESCOc1cc(NS(=O)(=O)N(C)CCCN)nn1C
InChIInChI=1S/C9H19N5O3S/c1-13(6-4-5-10)18(15,16)12-8-7-9(17-3)14(2)11-8/h7H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyBVSLHTWQQOSBPT-UHFFFAOYSA-N
XLogP-0.63
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole?
The IUPAC name of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole (CID 114255737) is 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole.
What is the SMILES notation for 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole?
The canonical SMILES for 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole is COc1cc(NS(=O)(=O)N(C)CCCN)nn1C.
What is the InChIKey of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole?
The InChIKey is BVSLHTWQQOSBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O3S/c1-13(6-4-5-10)18(15,16)12-8-7-9(17-3)14(2)11-8/h7H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole?
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole has a molecular weight of 277.35 g/mol, XLogP of -0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-5-methoxy-1-methylpyrazole is sourced from PubChem (CID 114255737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).