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

C10H17N5O2S — CID 61106260

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1S(=O)(=O)N1CCN2CCCC2C1
InChIInChI=1S/C10H17N5O2S/c11-10-9(6-12-13-10)18(16,17)15-5-4-14-3-1-2-8(14)7-15/h6,8H,1-5,7H2,(H3,11,12,13)
InChIKeyWKLPCJAXJIFLCD-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.54
Rot. Bonds2

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

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine (PubChem CID 61106260) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine
PubChem CID61106260
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1S(=O)(=O)N1CCN2CCCC2C1
InChIInChI=1S/C10H17N5O2S/c11-10-9(6-12-13-10)18(16,17)15-5-4-14-3-1-2-8(14)7-15/h6,8H,1-5,7H2,(H3,11,12,13)
InChIKeyWKLPCJAXJIFLCD-UHFFFAOYSA-N
XLogP-0.54
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine (CID 61106260) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1S(=O)(=O)N1CCN2CCCC2C1.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine?
The InChIKey is WKLPCJAXJIFLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c11-10-9(6-12-13-10)18(16,17)15-5-4-14-3-1-2-8(14)7-15/h6,8H,1-5,7H2,(H3,11,12,13).
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine has a molecular weight of 271.35 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 61106260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).