2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride

C15H22ClN5O2S — CID 154895925

IUPAC2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCN(Cc1ccccc1)S(=O)(=O)NCc1cc2n(n1)CCNC2.Cl
InChIInChI=1S/C15H21N5O2S.ClH/c1-19(12-13-5-3-2-4-6-13)23(21,22)17-10-14-9-15-11-16-7-8-20(15)18-14;/h2-6,9,16-17H,7-8,10-12H2,1H3;1H
InChIKeyBDUNVPYIDKTSOZ-UHFFFAOYSA-N
MW371.89 g/mol
LogP0.87
Rot. Bonds6

About 2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride

2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (PubChem CID 154895925) has the molecular formula C15H22ClN5O2S and a molecular weight of 371.89 g/mol. Its IUPAC name is 2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
PubChem CID154895925
Molecular FormulaC15H22ClN5O2S
Molecular Weight371.89 g/mol
Exact Mass371.12
IUPAC Name2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCN(Cc1ccccc1)S(=O)(=O)NCc1cc2n(n1)CCNC2.Cl
InChIInChI=1S/C15H21N5O2S.ClH/c1-19(12-13-5-3-2-4-6-13)23(21,22)17-10-14-9-15-11-16-7-8-20(15)18-14;/h2-6,9,16-17H,7-8,10-12H2,1H3;1H
InChIKeyBDUNVPYIDKTSOZ-UHFFFAOYSA-N
XLogP0.87
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The IUPAC name of 2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (CID 154895925) is 2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.
What is the SMILES notation for 2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The canonical SMILES for 2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is CN(Cc1ccccc1)S(=O)(=O)NCc1cc2n(n1)CCNC2.Cl.
What is the InChIKey of 2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The InChIKey is BDUNVPYIDKTSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S.ClH/c1-19(12-13-5-3-2-4-6-13)23(21,22)17-10-14-9-15-11-16-7-8-20(15)18-14;/h2-6,9,16-17H,7-8,10-12H2,1H3;1H.
What are the key properties of 2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride has a molecular weight of 371.89 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is sourced from PubChem (CID 154895925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).