N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

C14H20N6O3S — CID 121499430

IUPACN-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCCn1nccc1S(=O)(=O)N1CCn2nc(CNC(C)=O)cc2C1
InChIInChI=1S/C14H20N6O3S/c1-3-19-14(4-5-16-19)24(22,23)18-6-7-20-13(10-18)8-12(17-20)9-15-11(2)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,15,21)
InChIKeyURBPHWKMYWTBIL-UHFFFAOYSA-N
MW352.42 g/mol
LogP-0.06
Rot. Bonds5

About N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (PubChem CID 121499430) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
PubChem CID121499430
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC NameN-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCCn1nccc1S(=O)(=O)N1CCn2nc(CNC(C)=O)cc2C1
InChIInChI=1S/C14H20N6O3S/c1-3-19-14(4-5-16-19)24(22,23)18-6-7-20-13(10-18)8-12(17-20)9-15-11(2)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,15,21)
InChIKeyURBPHWKMYWTBIL-UHFFFAOYSA-N
XLogP-0.06
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (CID 121499430) is N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is CCn1nccc1S(=O)(=O)N1CCn2nc(CNC(C)=O)cc2C1.
What is the InChIKey of N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The InChIKey is URBPHWKMYWTBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-3-19-14(4-5-16-19)24(22,23)18-6-7-20-13(10-18)8-12(17-20)9-15-11(2)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,15,21).
What are the key properties of N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide has a molecular weight of 352.42 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 121499430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).