(8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C14H23N5O2 — CID 75368712

IUPAC(8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOCCN1C[C@H]2CN(Cc3cnn(C)c3)CCN2C1=O
InChIInChI=1S/C14H23N5O2/c1-16-8-12(7-15-16)9-17-3-4-19-13(10-17)11-18(14(19)20)5-6-21-2/h7-8,13H,3-6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyXMKUUDNSUPCDJX-CYBMUJFWSA-N
MW293.37 g/mol
LogP-0.01
Rot. Bonds5

About (8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368712) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368712
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOCCN1C[C@H]2CN(Cc3cnn(C)c3)CCN2C1=O
InChIInChI=1S/C14H23N5O2/c1-16-8-12(7-15-16)9-17-3-4-19-13(10-17)11-18(14(19)20)5-6-21-2/h7-8,13H,3-6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyXMKUUDNSUPCDJX-CYBMUJFWSA-N
XLogP-0.01
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

(8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537133
(8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368684
[4-[(1-Ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 75438496
2-[(4aR,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylethanamine
CID 97377391
2-[(4aR,7aS)-4-[(1-methylpyrazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N,N-dimethylethanamine
CID 97510638
(8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537117
1-(2-Ethoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53609485
N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidine-1-carboxamide
CID 100729024
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 53610262
2-[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 56802676
(4aS,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 125186867
(4aS,7aR)-4-(2-methoxyethyl)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 125186960

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368712) is (8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is COCCN1C[C@H]2CN(Cc3cnn(C)c3)CCN2C1=O.
What is the InChIKey of (8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is XMKUUDNSUPCDJX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-16-8-12(7-15-16)9-17-3-4-19-13(10-17)11-18(14(19)20)5-6-21-2/h7-8,13H,3-6,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 293.37 g/mol, XLogP of -0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-(2-methoxyethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).