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

C25H26N4O4 — CID 91892789

IUPACN-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1OC
InChIInChI=1S/C25H26N4O4/c1-16-5-7-19(17(2)13-16)20-15-21-25(31)28(11-12-29(21)27-20)10-9-26-24(30)18-6-8-22(32-3)23(14-18)33-4/h5-8,11-15H,9-10H2,1-4H3,(H,26,30)
InChIKeyIPWIFDSAFOWDLN-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.23
Rot. Bonds7

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

N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide (PubChem CID 91892789) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide
PubChem CID91892789
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1OC
InChIInChI=1S/C25H26N4O4/c1-16-5-7-19(17(2)13-16)20-15-21-25(31)28(11-12-29(21)27-20)10-9-26-24(30)18-6-8-22(32-3)23(14-18)33-4/h5-8,11-15H,9-10H2,1-4H3,(H,26,30)
InChIKeyIPWIFDSAFOWDLN-UHFFFAOYSA-N
XLogP3.23
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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]-4-fluorobenzamide
CID 91892782
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluoro-4-methoxybenzamide
CID 91892842
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]-2-(4-fluorophenoxy)acetamide
CID 91892775
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 91892771
N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
CID 175667283
N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide
CID 91892931
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
5-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125127162
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide
CID 91892743

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide (CID 91892789) is N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1OC.
What is the InChIKey of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide?
The InChIKey is IPWIFDSAFOWDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-16-5-7-19(17(2)13-16)20-15-21-25(31)28(11-12-29(21)27-20)10-9-26-24(30)18-6-8-22(32-3)23(14-18)33-4/h5-8,11-15H,9-10H2,1-4H3,(H,26,30).
What are the key properties of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide?
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide has a molecular weight of 446.51 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 91892789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).