methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate

C16H17N3O4 — CID 1475683

IUPACmethyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(Cc1ccc(OC)cc1)C2=O
InChIInChI=1S/C16H17N3O4/c1-22-12-5-3-11(4-6-12)10-18-7-8-19-14(15(18)20)9-13(17-19)16(21)23-2/h3-6,9H,7-8,10H2,1-2H3
InChIKeyRAUBJTURBDOVDL-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.33
Rot. Bonds4

About methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 1475683) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID1475683
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Namemethyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(Cc1ccc(OC)cc1)C2=O
InChIInChI=1S/C16H17N3O4/c1-22-12-5-3-11(4-6-12)10-18-7-8-19-14(15(18)20)9-13(17-19)16(21)23-2/h3-6,9H,7-8,10H2,1-2H3
InChIKeyRAUBJTURBDOVDL-UHFFFAOYSA-N
XLogP1.33
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate (CID 1475683) is methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(Cc1ccc(OC)cc1)C2=O.
What is the InChIKey of methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is RAUBJTURBDOVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-22-12-5-3-11(4-6-12)10-18-7-8-19-14(15(18)20)9-13(17-19)16(21)23-2/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 1475683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).