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

C17H24N6O3S — CID 122561253

IUPACN-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESCCn1nccc1S(=O)(=O)N1CCn2nc(CNC(=O)C3CCC3)cc2C1
InChIInChI=1S/C17H24N6O3S/c1-2-22-16(6-7-19-22)27(25,26)21-8-9-23-15(12-21)10-14(20-23)11-18-17(24)13-4-3-5-13/h6-7,10,13H,2-5,8-9,11-12H2,1H3,(H,18,24)
InChIKeyZGHZXLUHUOVLPZ-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.72
Rot. Bonds6

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

N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 122561253) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 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]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID122561253
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC NameN-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESCCn1nccc1S(=O)(=O)N1CCn2nc(CNC(=O)C3CCC3)cc2C1
InChIInChI=1S/C17H24N6O3S/c1-2-22-16(6-7-19-22)27(25,26)21-8-9-23-15(12-21)10-14(20-23)11-18-17(24)13-4-3-5-13/h6-7,10,13H,2-5,8-9,11-12H2,1H3,(H,18,24)
InChIKeyZGHZXLUHUOVLPZ-UHFFFAOYSA-N
XLogP0.72
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 121499430
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclohexanecarboxamide
CID 70732727
2-(dimethylamino)-1-[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91791102
N-[[5-[(2-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118787943
N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118769724
N-[[5-[(3-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118784008
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126828401
N-[[5-[(5-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70704905
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118771707
2,2-dimethyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]oxane-4-carboxamide
CID 118769780
N-[[5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 72895149
N-[[5-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118763926

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]cyclobutanecarboxamide?
The IUPAC name of N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (CID 122561253) is N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.
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]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is CCn1nccc1S(=O)(=O)N1CCn2nc(CNC(=O)C3CCC3)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]cyclobutanecarboxamide?
The InChIKey is ZGHZXLUHUOVLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-2-22-16(6-7-19-22)27(25,26)21-8-9-23-15(12-21)10-14(20-23)11-18-17(24)13-4-3-5-13/h6-7,10,13H,2-5,8-9,11-12H2,1H3,(H,18,24).
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]cyclobutanecarboxamide?
N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 392.49 g/mol, XLogP of 0.72, 6 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]cyclobutanecarboxamide is sourced from PubChem (CID 122561253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).