2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C14H20N4O2 — CID 79940934

IUPAC2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCC2C(=O)N1c1ccn(C)n1
InChIInChI=1S/C14H20N4O2/c1-9(2)12-14(20)17-7-4-5-10(17)13(19)18(12)11-6-8-16(3)15-11/h6,8-10,12H,4-5,7H2,1-3H3
InChIKeyYMTGAEUFOPWZRB-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.78
Rot. Bonds2

About 2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79940934) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79940934
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCC2C(=O)N1c1ccn(C)n1
InChIInChI=1S/C14H20N4O2/c1-9(2)12-14(20)17-7-4-5-10(17)13(19)18(12)11-6-8-16(3)15-11/h6,8-10,12H,4-5,7H2,1-3H3
InChIKeyYMTGAEUFOPWZRB-UHFFFAOYSA-N
XLogP0.78
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932739
2-(4-chlorophenyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923788
2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79917335
2-(2-chlorophenyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923429
3-propan-2-yl-2-pyrimidin-5-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 107590285
2-(dicyclopropylmethyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923174
2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944933
3-propan-2-yl-2-(1-thiophen-3-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923833
2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106422187
2-cyclopropyl-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932805
3-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944186
2-(2-methylcyclohexyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923539

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79940934) is 2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC(C)C1C(=O)N2CCCC2C(=O)N1c1ccn(C)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is YMTGAEUFOPWZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)12-14(20)17-7-4-5-10(17)13(19)18(12)11-6-8-16(3)15-11/h6,8-10,12H,4-5,7H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 276.34 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79940934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).