5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one

C29H31N5O3 — CID 53332841

IUPAC5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)CCn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)CC2)cc1
InChIInChI=1S/C29H31N5O3/c1-20-4-5-24(18-21(20)2)26-19-27-29(37)33(16-17-34(27)30-26)11-10-28(36)32-14-12-31(13-15-32)25-8-6-23(7-9-25)22(3)35/h4-9,16-19H,10-15H2,1-3H3
InChIKeyCAXYRTHKEFFWSB-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.72
Rot. Bonds6

About 5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one

5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53332841) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53332841
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC Name5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)CCn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)CC2)cc1
InChIInChI=1S/C29H31N5O3/c1-20-4-5-24(18-21(20)2)26-19-27-29(37)33(16-17-34(27)30-26)11-10-28(36)32-14-12-31(13-15-32)25-8-6-23(7-9-25)22(3)35/h4-9,16-19H,10-15H2,1-3H3
InChIKeyCAXYRTHKEFFWSB-UHFFFAOYSA-N
XLogP3.72
TPSA79.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332845
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-propylpropanamide
CID 53332228
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53332891
2-(4-ethoxyphenyl)-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332928
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide
CID 91892874
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 53332248
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 53332269
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 91892860
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332247
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 95183200
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]quinoline-2-carboxamide
CID 91892847

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 53332841) is 5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one is CC(=O)c1ccc(N2CCN(C(=O)CCn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)CC2)cc1.
What is the InChIKey of 5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CAXYRTHKEFFWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-20-4-5-24(18-21(20)2)26-19-27-29(37)33(16-17-34(27)30-26)11-10-28(36)32-14-12-31(13-15-32)25-8-6-23(7-9-25)22(3)35/h4-9,16-19H,10-15H2,1-3H3.
What are the key properties of 5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 497.60 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53332841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).