2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C25H30N4O3 — CID 46274186

IUPAC2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1cccc(CN2C(=O)c3cc(-c4ccco4)nn3CC2(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C25H30N4O3/c1-17(2)10-11-26-24(31)25(4)16-29-21(14-20(27-29)22-9-6-12-32-22)23(30)28(25)15-19-8-5-7-18(3)13-19/h5-9,12-14,17H,10-11,15-16H2,1-4H3,(H,26,31)
InChIKeyFXKAMQDMRLNWCQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.03
Rot. Bonds7

About 2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46274186) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46274186
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1cccc(CN2C(=O)c3cc(-c4ccco4)nn3CC2(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C25H30N4O3/c1-17(2)10-11-26-24(31)25(4)16-29-21(14-20(27-29)22-9-6-12-32-22)23(30)28(25)15-19-8-5-7-18(3)13-19/h5-9,12-14,17H,10-11,15-16H2,1-4H3,(H,26,31)
InChIKeyFXKAMQDMRLNWCQ-UHFFFAOYSA-N
XLogP4.03
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46274186) is 2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1cccc(CN2C(=O)c3cc(-c4ccco4)nn3CC2(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is FXKAMQDMRLNWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17(2)10-11-26-24(31)25(4)16-29-21(14-20(27-29)22-9-6-12-32-22)23(30)28(25)15-19-8-5-7-18(3)13-19/h5-9,12-14,17H,10-11,15-16H2,1-4H3,(H,26,31).
What are the key properties of 2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46274186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).