1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C16H22N4O — CID 42951721

IUPAC1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)N1CCn2cccc2C1C
InChIInChI=1S/C16H22N4O/c1-11-14(12(2)18(4)17-11)10-16(21)20-9-8-19-7-5-6-15(19)13(20)3/h5-7,13H,8-10H2,1-4H3
InChIKeyVPAKGTJRRMMIGL-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.98
Rot. Bonds2

About 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 42951721) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID42951721
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)N1CCn2cccc2C1C
InChIInChI=1S/C16H22N4O/c1-11-14(12(2)18(4)17-11)10-16(21)20-9-8-19-7-5-6-15(19)13(20)3/h5-7,13H,8-10H2,1-4H3
InChIKeyVPAKGTJRRMMIGL-UHFFFAOYSA-N
XLogP1.98
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 134054550
(1R)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124627266
(1S)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124627265
1-[(1R)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 96573629
(1,5-dimethylpyrazol-4-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 47025599
3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 42945263
1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94654421
1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 95346968
1-pyrrolidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705236
(2E,4E)-1,6-bis(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexa-2,4-diene-1,6-dione
CID 166197770
1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 95284565
1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 43067423

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 42951721) is 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1nn(C)c(C)c1CC(=O)N1CCn2cccc2C1C.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is VPAKGTJRRMMIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-14(12(2)18(4)17-11)10-16(21)20-9-8-19-7-5-6-15(19)13(20)3/h5-7,13H,8-10H2,1-4H3.
What are the key properties of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 286.38 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 42951721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).