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

C23H20F2N4O2 — CID 91892798

IUPACN-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide
SMILESCc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)c(F)c4)ccn3n2)c(C)c1
InChIInChI=1S/C23H20F2N4O2/c1-14-3-5-17(15(2)11-14)20-13-21-23(31)28(9-10-29(21)27-20)8-7-26-22(30)16-4-6-18(24)19(25)12-16/h3-6,9-13H,7-8H2,1-2H3,(H,26,30)
InChIKeyZGBVROAQKGGJIT-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.49
Rot. Bonds5

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

N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide (PubChem CID 91892798) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide
PubChem CID91892798
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC NameN-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide
SMILESCc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)c(F)c4)ccn3n2)c(C)c1
InChIInChI=1S/C23H20F2N4O2/c1-14-3-5-17(15(2)11-14)20-13-21-23(31)28(9-10-29(21)27-20)8-7-26-22(30)16-4-6-18(24)19(25)12-16/h3-6,9-13H,7-8H2,1-2H3,(H,26,30)
InChIKeyZGBVROAQKGGJIT-UHFFFAOYSA-N
XLogP3.49
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-dimethoxybenzamide
CID 91892789
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-fluorophenyl)acetamide
CID 91892771
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-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
CID 175667283
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluoro-4-methoxybenzamide
CID 91892842
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-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]-1,3-benzodioxole-5-carboxamide
CID 91892860
4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892918

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-difluorobenzamide?
The IUPAC name of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide (CID 91892798) is N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide is Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)c(F)c4)ccn3n2)c(C)c1.
What is the InChIKey of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide?
The InChIKey is ZGBVROAQKGGJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-14-3-5-17(15(2)11-14)20-13-21-23(31)28(9-10-29(21)27-20)8-7-26-22(30)16-4-6-18(24)19(25)12-16/h3-6,9-13H,7-8H2,1-2H3,(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-difluorobenzamide?
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide has a molecular weight of 422.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-difluorobenzamide is sourced from PubChem (CID 91892798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).