N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide

C21H20N4O3 — CID 175667283

IUPACN-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
SMILESCc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccoc4)ccn3n2)c1
InChIInChI=1S/C21H20N4O3/c1-14-3-4-15(2)17(11-14)18-12-19-21(27)24(8-9-25(19)23-18)7-6-22-20(26)16-5-10-28-13-16/h3-5,8-13H,6-7H2,1-2H3,(H,22,26)
InChIKeyGJBNQEJXDATECI-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.80
Rot. Bonds5

About N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide

N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide (PubChem CID 175667283) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
PubChem CID175667283
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
SMILESCc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccoc4)ccn3n2)c1
InChIInChI=1S/C21H20N4O3/c1-14-3-4-15(2)17(11-14)18-12-19-21(27)24(8-9-25(19)23-18)7-6-22-20(26)16-5-10-28-13-16/h3-5,8-13H,6-7H2,1-2H3,(H,22,26)
InChIKeyGJBNQEJXDATECI-UHFFFAOYSA-N
XLogP2.80
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
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 ≤ 106

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Related Compounds

N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-fluorobenzamide
CID 91892782
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide
CID 91892798
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-2-carboxamide
CID 91909242
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 91892789
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 91892771
5-cyclopropyl-N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-pyrazole-3-carboxamide
CID 91892800
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide
CID 91892874
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide
CID 91892775
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 91892860
N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide
CID 91892931
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluoro-4-methoxybenzamide
CID 91892842
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892925

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide (CID 175667283) is N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide is Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccoc4)ccn3n2)c1.
What is the InChIKey of N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
The InChIKey is GJBNQEJXDATECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14-3-4-15(2)17(11-14)18-12-19-21(27)24(8-9-25(19)23-18)7-6-22-20(26)16-5-10-28-13-16/h3-5,8-13H,6-7H2,1-2H3,(H,22,26).
What are the key properties of N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 175667283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).