ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate

C20H24N4O5 — CID 46272743

IUPACethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1(C)Cn2nc(-c3ccc(OC)cc3)cc2C(=O)N1C
InChIInChI=1S/C20H24N4O5/c1-5-29-17(25)11-21-19(27)20(2)12-24-16(18(26)23(20)3)10-15(22-24)13-6-8-14(28-4)9-7-13/h6-10H,5,11-12H2,1-4H3,(H,21,27)
InChIKeyHSZJAJHOPLYMKA-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.08
Rot. Bonds6

About ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate

ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate (PubChem CID 46272743) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate
PubChem CID46272743
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Nameethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1(C)Cn2nc(-c3ccc(OC)cc3)cc2C(=O)N1C
InChIInChI=1S/C20H24N4O5/c1-5-29-17(25)11-21-19(27)20(2)12-24-16(18(26)23(20)3)10-15(22-24)13-6-8-14(28-4)9-7-13/h6-10H,5,11-12H2,1-4H3,(H,21,27)
InChIKeyHSZJAJHOPLYMKA-UHFFFAOYSA-N
XLogP1.08
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate with MolForge

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Related Compounds

(6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739331
(6R)-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739255
(6R)-N-benzyl-5-[(4-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739351
(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739347
(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739319
N-benzyl-5-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756510
(6R)-N-benzyl-5-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739328
N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522429
(6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 98269243
(6S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739267
(6R)-N-benzyl-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739286
(6S)-5-cyclopropyl-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739275

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate (CID 46272743) is ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate is CCOC(=O)CNC(=O)C1(C)Cn2nc(-c3ccc(OC)cc3)cc2C(=O)N1C.
What is the InChIKey of ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate?
The InChIKey is HSZJAJHOPLYMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-5-29-17(25)11-21-19(27)20(2)12-24-16(18(26)23(20)3)10-15(22-24)13-6-8-14(28-4)9-7-13/h6-10H,5,11-12H2,1-4H3,(H,21,27).
What are the key properties of ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate?
ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate has a molecular weight of 400.44 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carbonyl]amino]acetate is sourced from PubChem (CID 46272743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).