ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate

C18H20N4O5 — CID 68954171

IUPACethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C)CC2C(N)=O
InChIInChI=1S/C18H20N4O5/c1-3-26-18(25)13-15(27-10-11-7-5-4-6-8-11)14-17(24)21(2)9-12(16(19)23)22(14)20-13/h4-8,12H,3,9-10H2,1-2H3,(H2,19,23)
InChIKeyHHCZVCNGMUCHQA-UHFFFAOYSA-N
MW372.38 g/mol
LogP0.75
Rot. Bonds6

About ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 68954171) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID68954171
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Nameethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C)CC2C(N)=O
InChIInChI=1S/C18H20N4O5/c1-3-26-18(25)13-15(27-10-11-7-5-4-6-8-11)14-17(24)21(2)9-12(16(19)23)22(14)20-13/h4-8,12H,3,9-10H2,1-2H3,(H2,19,23)
InChIKeyHHCZVCNGMUCHQA-UHFFFAOYSA-N
XLogP0.75
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 86637145
ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate
CID 91532824
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 68953073
ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate
CID 18442536
ethyl 1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
CID 58739081
ethane;ethyl 2-[4-(hydroxymethyl)piperidin-1-yl]-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 143867231
benzyl 1-(2-hydroxyethyl)-5-methyltriazole-4-carboxylate
CID 103114564
ethane;ethyl 8,8-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylate
CID 143150186
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate
CID 167491875
ethyl 6,9-dioxo-5-phenylmethoxy-1,3,7,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4-diene-4-carboxylate
CID 58821223
ethyl 1-(2-methylphenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate
CID 7588497

Frequently Asked Questions

What is the IUPAC name of ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate (CID 68954171) is ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C)CC2C(N)=O.
What is the InChIKey of ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is HHCZVCNGMUCHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-3-26-18(25)13-15(27-10-11-7-5-4-6-8-11)14-17(24)21(2)9-12(16(19)23)22(14)20-13/h4-8,12H,3,9-10H2,1-2H3,(H2,19,23).
What are the key properties of ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 68954171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).