N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide

C15H24N4O2S — CID 133144262

IUPACN-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1CN(C2CCC2)Cc2ccnn2C1)C1CC1
InChIInChI=1S/C15H24N4O2S/c20-22(21,15-4-5-15)17-8-12-9-18(13-2-1-3-13)11-14-6-7-16-19(14)10-12/h6-7,12-13,15,17H,1-5,8-11H2
InChIKeyQAWVVVJGTYEOEA-UHFFFAOYSA-N
MW324.45 g/mol
LogP0.95
Rot. Bonds5

About N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide

N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide (PubChem CID 133144262) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide
PubChem CID133144262
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1CN(C2CCC2)Cc2ccnn2C1)C1CC1
InChIInChI=1S/C15H24N4O2S/c20-22(21,15-4-5-15)17-8-12-9-18(13-2-1-3-13)11-14-6-7-16-19(14)10-12/h6-7,12-13,15,17H,1-5,8-11H2
InChIKeyQAWVVVJGTYEOEA-UHFFFAOYSA-N
XLogP0.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide (CID 133144262) is N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide is O=S(=O)(NCC1CN(C2CCC2)Cc2ccnn2C1)C1CC1.
What is the InChIKey of N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide?
The InChIKey is QAWVVVJGTYEOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c20-22(21,15-4-5-15)17-8-12-9-18(13-2-1-3-13)11-14-6-7-16-19(14)10-12/h6-7,12-13,15,17H,1-5,8-11H2.
What are the key properties of N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide?
N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 133144262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).