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

C15H20N6O — CID 136533957

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone
SMILESCn1cc(-c2[nH]ncc2C(=O)N2CCN3CCCC3C2)cn1
InChIInChI=1S/C15H20N6O/c1-19-9-11(7-17-19)14-13(8-16-18-14)15(22)21-6-5-20-4-2-3-12(20)10-21/h7-9,12H,2-6,10H2,1H3,(H,16,18)
InChIKeyIUIMCMBWFBHITO-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.73
Rot. Bonds2

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone (PubChem CID 136533957) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone
PubChem CID136533957
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone
SMILESCn1cc(-c2[nH]ncc2C(=O)N2CCN3CCCC3C2)cn1
InChIInChI=1S/C15H20N6O/c1-19-9-11(7-17-19)14-13(8-16-18-14)15(22)21-6-5-20-4-2-3-12(20)10-21/h7-9,12H,2-6,10H2,1H3,(H,16,18)
InChIKeyIUIMCMBWFBHITO-UHFFFAOYSA-N
XLogP0.73
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone with MolForge

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Related Compounds

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3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 44824807
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
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ethyl 4-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
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(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 50978348
(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63102325
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95589917
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methanone
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3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
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[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 70771223

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone (CID 136533957) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone is Cn1cc(-c2[nH]ncc2C(=O)N2CCN3CCCC3C2)cn1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone?
The InChIKey is IUIMCMBWFBHITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-19-9-11(7-17-19)14-13(8-16-18-14)15(22)21-6-5-20-4-2-3-12(20)10-21/h7-9,12H,2-6,10H2,1H3,(H,16,18).
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone has a molecular weight of 300.37 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 136533957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).