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

C18H21N3O4 — CID 50959311

IUPACmethyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)CCc1cccc(OC)c1)C2
InChIInChI=1S/C18H21N3O4/c1-24-15-5-3-4-13(10-15)6-7-17(22)20-8-9-21-14(12-20)11-16(19-21)18(23)25-2/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyALBZIZRCQZPZTL-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.65
Rot. Bonds5

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

methyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50959311) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50959311
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Namemethyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)CCc1cccc(OC)c1)C2
InChIInChI=1S/C18H21N3O4/c1-24-15-5-3-4-13(10-15)6-7-17(22)20-8-9-21-14(12-20)11-16(19-21)18(23)25-2/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyALBZIZRCQZPZTL-UHFFFAOYSA-N
XLogP1.65
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50959311) is methyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(C(=O)CCc1cccc(OC)c1)C2.
What is the InChIKey of methyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is ALBZIZRCQZPZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-15-5-3-4-13(10-15)6-7-17(22)20-8-9-21-14(12-20)11-16(19-21)18(23)25-2/h3-5,10-11H,6-9,12H2,1-2H3.
What are the key properties of methyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 343.38 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 methyl 5-[3-(3-methoxyphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50959311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).