1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one

C17H19N5O — CID 133449127

IUPAC1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCc2cn(C)nc2-c2ccccc2)c1=O
InChIInChI=1S/C17H19N5O/c1-3-22-10-9-18-16(17(22)23)19-11-14-12-21(2)20-15(14)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,18,19)
InChIKeyCBOSMWFRRSDUQB-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.28
Rot. Bonds5

About 1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one

1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one (PubChem CID 133449127) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
PubChem CID133449127
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCc2cn(C)nc2-c2ccccc2)c1=O
InChIInChI=1S/C17H19N5O/c1-3-22-10-9-18-16(17(22)23)19-11-14-12-21(2)20-15(14)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,18,19)
InChIKeyCBOSMWFRRSDUQB-UHFFFAOYSA-N
XLogP2.28
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 133475736
3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194
1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one
CID 62927584
3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62938649
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62927930
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one
CID 112670534
1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one
CID 62939167
3-chloro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5-nitropyridin-2-amine
CID 133449211
5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133449160

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one (CID 133449127) is 1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one is CCn1ccnc(NCc2cn(C)nc2-c2ccccc2)c1=O.
What is the InChIKey of 1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one?
The InChIKey is CBOSMWFRRSDUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-22-10-9-18-16(17(22)23)19-11-14-12-21(2)20-15(14)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,18,19).
What are the key properties of 1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one?
1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one is sourced from PubChem (CID 133449127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).