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

C24H24N4O3 — CID 91892931

IUPACN-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide
SMILESCOc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)c(C)c4)ccn3n2)c1
InChIInChI=1S/C24H24N4O3/c1-16-7-8-19(13-17(16)2)23(29)25-9-10-27-11-12-28-22(24(27)30)15-21(26-28)18-5-4-6-20(14-18)31-3/h4-8,11-15H,9-10H2,1-3H3,(H,25,29)
InChIKeyKZIYLBORPLAOAP-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.22
Rot. Bonds6

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

N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide (PubChem CID 91892931) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide
PubChem CID91892931
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide
SMILESCOc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)c(C)c4)ccn3n2)c1
InChIInChI=1S/C24H24N4O3/c1-16-7-8-19(13-17(16)2)23(29)25-9-10-27-11-12-28-22(24(27)30)15-21(26-28)18-5-4-6-20(14-18)31-3/h4-8,11-15H,9-10H2,1-3H3,(H,25,29)
InChIKeyKZIYLBORPLAOAP-UHFFFAOYSA-N
XLogP3.22
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892925
4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892918
3-(dimethylamino)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892927
2,6-difluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892885
2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892920
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluoro-4-methoxybenzamide
CID 91892842
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide
CID 91892743
2,5-difluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892897
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide
CID 91892874
2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide
CID 91892902
3-(dimethylamino)-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892706
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 91892860

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide (CID 91892931) is N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide is COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)c(C)c4)ccn3n2)c1.
What is the InChIKey of N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide?
The InChIKey is KZIYLBORPLAOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-7-8-19(13-17(16)2)23(29)25-9-10-27-11-12-28-22(24(27)30)15-21(26-28)18-5-4-6-20(14-18)31-3/h4-8,11-15H,9-10H2,1-3H3,(H,25,29).
What are the key properties of N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide?
N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide has a molecular weight of 416.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 91892931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).