methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C19H19N3O4 — CID 50957815

IUPACmethyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)Cc1coc3cc(C)ccc13)C2
InChIInChI=1S/C19H19N3O4/c1-12-3-4-15-13(11-26-17(15)7-12)8-18(23)21-5-6-22-14(10-21)9-16(20-22)19(24)25-2/h3-4,7,9,11H,5-6,8,10H2,1-2H3
InChIKeyTXUFKAOYCWFDNW-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.31
Rot. Bonds3

About methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50957815) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50957815
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Namemethyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)Cc1coc3cc(C)ccc13)C2
InChIInChI=1S/C19H19N3O4/c1-12-3-4-15-13(11-26-17(15)7-12)8-18(23)21-5-6-22-14(10-21)9-16(20-22)19(24)25-2/h3-4,7,9,11H,5-6,8,10H2,1-2H3
InChIKeyTXUFKAOYCWFDNW-UHFFFAOYSA-N
XLogP2.31
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 18872267
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 18872277
2-(6-methyl-1-benzofuran-3-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]ethanone
CID 119074902
methyl 5-[3-(3-oxo-1,2-oxazol-5-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50975488
2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 155983415
methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 95123709
1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 86912129
1-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43239499
methyl 1-[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 2426417
2-(6-methyl-1-benzofuran-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 18872264
2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124964719
methyl 5-(2-propyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50980331

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50957815) is methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(C(=O)Cc1coc3cc(C)ccc13)C2.
What is the InChIKey of methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is TXUFKAOYCWFDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-3-4-15-13(11-26-17(15)7-12)8-18(23)21-5-6-22-14(10-21)9-16(20-22)19(24)25-2/h3-4,7,9,11H,5-6,8,10H2,1-2H3.
What are the key properties of methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50957815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).