[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol

C11H18N4O3S — CID 79937245

IUPAC[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol
SMILESO=S(=O)(c1[nH]ncc1CO)N1CCN2CCCC2C1
InChIInChI=1S/C11H18N4O3S/c16-8-9-6-12-13-11(9)19(17,18)15-5-4-14-3-1-2-10(14)7-15/h6,10,16H,1-5,7-8H2,(H,12,13)
InChIKeyAGMIHAJSVPLUOH-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.63
Rot. Bonds3

About [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol

[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol (PubChem CID 79937245) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol
PubChem CID79937245
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol
SMILESO=S(=O)(c1[nH]ncc1CO)N1CCN2CCCC2C1
InChIInChI=1S/C11H18N4O3S/c16-8-9-6-12-13-11(9)19(17,18)15-5-4-14-3-1-2-10(14)7-15/h6,10,16H,1-5,7-8H2,(H,12,13)
InChIKeyAGMIHAJSVPLUOH-UHFFFAOYSA-N
XLogP-0.63
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)phenyl]methanol
CID 79937246
[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-2-fluorophenyl]methanol
CID 79935533
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-1H-pyrazol-5-amine
CID 63151051
[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)phenyl]methanol
CID 79937525
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 79919258
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol
CID 79935876
[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-bromophenyl]methanol
CID 79935973
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 106590018
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine
CID 63174913
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyridin-2-one
CID 54877089
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)benzoic acid
CID 60952156

Frequently Asked Questions

What is the IUPAC name of [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol (CID 79937245) is [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol is O=S(=O)(c1[nH]ncc1CO)N1CCN2CCCC2C1.
What is the InChIKey of [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol?
The InChIKey is AGMIHAJSVPLUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c16-8-9-6-12-13-11(9)19(17,18)15-5-4-14-3-1-2-10(14)7-15/h6,10,16H,1-5,7-8H2,(H,12,13).
What are the key properties of [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol?
[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol has a molecular weight of 286.36 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 79937245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).