2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C15H21N5O2S — CID 91791063

IUPAC2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCCSCC(=O)N1CCn2nc(C(O)c3ccnn3C)cc2C1
InChIInChI=1S/C15H21N5O2S/c1-3-23-10-14(21)19-6-7-20-11(9-19)8-12(17-20)15(22)13-4-5-16-18(13)2/h4-5,8,15,22H,3,6-7,9-10H2,1-2H3
InChIKeyLWASUQXXWFJWAX-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.79
Rot. Bonds5

About 2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 91791063) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID91791063
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCCSCC(=O)N1CCn2nc(C(O)c3ccnn3C)cc2C1
InChIInChI=1S/C15H21N5O2S/c1-3-23-10-14(21)19-6-7-20-11(9-19)8-12(17-20)15(22)13-4-5-16-18(13)2/h4-5,8,15,22H,3,6-7,9-10H2,1-2H3
InChIKeyLWASUQXXWFJWAX-UHFFFAOYSA-N
XLogP0.79
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 91767864
1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-pyrrol-1-ylethanone
CID 91774118
[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methoxyfuran-2-yl)methanone
CID 91779608
1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-thiophen-3-ylethanone
CID 91783511
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 90652558
3-ethylsulfanyl-1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 90649418
N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 91767868
[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91787215
[5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91786319
[5-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91783499
[5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91784175
1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 91785151

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 91791063) is 2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is CCSCC(=O)N1CCn2nc(C(O)c3ccnn3C)cc2C1.
What is the InChIKey of 2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is LWASUQXXWFJWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-23-10-14(21)19-6-7-20-11(9-19)8-12(17-20)15(22)13-4-5-16-18(13)2/h4-5,8,15,22H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 335.43 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 91791063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).