4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide

C17H23N5O3S — CID 70713595

IUPAC4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)NCc2cc3n(n2)CCNC3)cc1
InChIInChI=1S/C17H23N5O3S/c1-2-7-20-26(24,25)16-5-3-13(4-6-16)17(23)19-11-14-10-15-12-18-8-9-22(15)21-14/h3-6,10,18,20H,2,7-9,11-12H2,1H3,(H,19,23)
InChIKeyNRGMJFLYFNLZAF-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.60
Rot. Bonds7

About 4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide

4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide (PubChem CID 70713595) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
PubChem CID70713595
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)NCc2cc3n(n2)CCNC3)cc1
InChIInChI=1S/C17H23N5O3S/c1-2-7-20-26(24,25)16-5-3-13(4-6-16)17(23)19-11-14-10-15-12-18-8-9-22(15)21-14/h3-6,10,18,20H,2,7-9,11-12H2,1H3,(H,19,23)
InChIKeyNRGMJFLYFNLZAF-UHFFFAOYSA-N
XLogP0.60
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide?
The IUPAC name of 4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide (CID 70713595) is 4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide is CCCNS(=O)(=O)c1ccc(C(=O)NCc2cc3n(n2)CCNC3)cc1.
What is the InChIKey of 4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide?
The InChIKey is NRGMJFLYFNLZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-2-7-20-26(24,25)16-5-3-13(4-6-16)17(23)19-11-14-10-15-12-18-8-9-22(15)21-14/h3-6,10,18,20H,2,7-9,11-12H2,1H3,(H,19,23).
What are the key properties of 4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide?
4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide has a molecular weight of 377.47 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylsulfamoyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide is sourced from PubChem (CID 70713595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).