N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C13H22N4O3S — CID 50960771

IUPACN-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(C)N1CCn2nc(C(=O)NCCS(C)(=O)=O)cc2C1
InChIInChI=1S/C13H22N4O3S/c1-10(2)16-5-6-17-11(9-16)8-12(15-17)13(18)14-4-7-21(3,19)20/h8,10H,4-7,9H2,1-3H3,(H,14,18)
InChIKeyJPTNKJYFFLQNIJ-UHFFFAOYSA-N
MW314.41 g/mol
LogP-0.12
Rot. Bonds5

About N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50960771) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50960771
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(C)N1CCn2nc(C(=O)NCCS(C)(=O)=O)cc2C1
InChIInChI=1S/C13H22N4O3S/c1-10(2)16-5-6-17-11(9-16)8-12(15-17)13(18)14-4-7-21(3,19)20/h8,10H,4-7,9H2,1-3H3,(H,14,18)
InChIKeyJPTNKJYFFLQNIJ-UHFFFAOYSA-N
XLogP-0.12
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 25854652
N~2~-[2-(dimethylamino)ethyl]-N~5~-[(1R)-1,2-dimethylpropyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxamide
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N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50983985
(4aR*,7aS*)-1-(3-methyl-2-buten-1-yl)-4-[(3-methyl-1H-pyrazol-5-yl)carbonyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70715264
N-({5-[3-(methylthio)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
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CID 46278742
N6-Cyclohexyl-5,6-dimethyl-4-oxo-N2-[3-(propylsulfanyl)propyl]-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2,6-dicarboxamide
CID 46278789
N6-Cycloheptyl-5,6-dimethyl-4-oxo-N2-[3-(propylsulfanyl)propyl]-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2,6-dicarboxamide
CID 46278817
N2-Butyl-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2,6-dicarboxamide
CID 46278858
N6-Cyclopentyl-N2-[2-(dimethylamino)ethyl]-6-methyl-4-oxo-5-propyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2,6-dicarboxamide
CID 46279099
N6-Cyclopentyl-6-methyl-4-oxo-N2,5-dipropyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2,6-dicarboxamide
CID 46279106

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50960771) is N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CC(C)N1CCn2nc(C(=O)NCCS(C)(=O)=O)cc2C1.
What is the InChIKey of N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is JPTNKJYFFLQNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-10(2)16-5-6-17-11(9-16)8-12(15-17)13(18)14-4-7-21(3,19)20/h8,10H,4-7,9H2,1-3H3,(H,14,18).
What are the key properties of N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50960771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).