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

C17H19N3O4 — CID 91532824

IUPACethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate
SMILESCCOC(=O)C1CN(C)C(=O)c2c(OCc3ccccc3)cnn21
InChIInChI=1S/C17H19N3O4/c1-3-23-17(22)13-10-19(2)16(21)15-14(9-18-20(13)15)24-11-12-7-5-4-6-8-12/h4-9,13H,3,10-11H2,1-2H3
InChIKeyHSPFKPZQOVEMCC-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.65
Rot. Bonds5

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

ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate (PubChem CID 91532824) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate
PubChem CID91532824
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Nameethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate
SMILESCCOC(=O)C1CN(C)C(=O)c2c(OCc3ccccc3)cnn21
InChIInChI=1S/C17H19N3O4/c1-3-23-17(22)13-10-19(2)16(21)15-14(9-18-20(13)15)24-11-12-7-5-4-6-8-12/h4-9,13H,3,10-11H2,1-2H3
InChIKeyHSPFKPZQOVEMCC-UHFFFAOYSA-N
XLogP1.65
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 68954171
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
CID 135148581
1-(1-methylpiperidin-3-yl)-4-phenylmethoxypyrazole-5-carboxylic acid
CID 117232065
1-O-benzyl 2-O-ethyl (2S)-4-methylpiperazine-1,2-dicarboxylate
CID 141178625
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 86637145
ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate
CID 171060032
2-O-benzyl 3-O-ethyl (3S)-5-trimethylsilyl-3,4-dihydropyrazole-2,3-dicarboxylate
CID 102403521
ethyl 3-(4-methyl-3-phenylmethoxyphenyl)-3-oxopropanoate
CID 20814225
1-O-benzyl 2-O-ethyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate
CID 18391505
1-O-benzyl 2-O-ethyl (2S,5S)-5-hydroxypiperidine-1,2-dicarboxylate
CID 118193062

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate (CID 91532824) is ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate is CCOC(=O)C1CN(C)C(=O)c2c(OCc3ccccc3)cnn21.
What is the InChIKey of ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is HSPFKPZQOVEMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-3-23-17(22)13-10-19(2)16(21)15-14(9-18-20(13)15)24-11-12-7-5-4-6-8-12/h4-9,13H,3,10-11H2,1-2H3.
What are the key properties of ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate?
ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 91532824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).