5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C21H20N4O3 — CID 1474584

IUPAC5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOc1ccc(CN2CCn3ncc(C(=O)Nc4ccccc4)c3C2=O)cc1
InChIInChI=1S/C21H20N4O3/c1-28-17-9-7-15(8-10-17)14-24-11-12-25-19(21(24)27)18(13-22-25)20(26)23-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,23,26)
InChIKeyIJHCMRDPLFBMPV-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.80
Rot. Bonds5

About 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 1474584) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID1474584
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOc1ccc(CN2CCn3ncc(C(=O)Nc4ccccc4)c3C2=O)cc1
InChIInChI=1S/C21H20N4O3/c1-28-17-9-7-15(8-10-17)14-24-11-12-25-19(21(24)27)18(13-22-25)20(26)23-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,23,26)
InChIKeyIJHCMRDPLFBMPV-UHFFFAOYSA-N
XLogP2.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 1474584) is 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is COc1ccc(CN2CCn3ncc(C(=O)Nc4ccccc4)c3C2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is IJHCMRDPLFBMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-28-17-9-7-15(8-10-17)14-24-11-12-25-19(21(24)27)18(13-22-25)20(26)23-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,23,26).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 1474584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).