2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

C13H21N5O — CID 79940809

IUPAC2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
SMILESCC1CN2CCCC2CN1C(=O)Cn1ccc(N)n1
InChIInChI=1S/C13H21N5O/c1-10-7-16-5-2-3-11(16)8-18(10)13(19)9-17-6-4-12(14)15-17/h4,6,10-11H,2-3,5,7-9H2,1H3,(H2,14,15)
InChIKeyXSJZSOFSBJBZHW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.16
Rot. Bonds2

About 2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 79940809) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
PubChem CID79940809
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
SMILESCC1CN2CCCC2CN1C(=O)Cn1ccc(N)n1
InChIInChI=1S/C13H21N5O/c1-10-7-16-5-2-3-11(16)8-18(10)13(19)9-17-6-4-12(14)15-17/h4,6,10-11H,2-3,5,7-9H2,1H3,(H2,14,15)
InChIKeyXSJZSOFSBJBZHW-UHFFFAOYSA-N
XLogP0.16
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone with MolForge

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Related Compounds

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(4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
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1-[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-imidazol-1-ylbutan-1-one
CID 124744308
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropanenitrile
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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (CID 79940809) is 2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is CC1CN2CCCC2CN1C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is XSJZSOFSBJBZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-7-16-5-2-3-11(16)8-18(10)13(19)9-17-6-4-12(14)15-17/h4,6,10-11H,2-3,5,7-9H2,1H3,(H2,14,15).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 79940809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).