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

C26H27N5O4 — CID 53332845

IUPAC2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCN(C(=O)c5ccco5)CC4)ccn3n2)cc1C
InChIInChI=1S/C26H27N5O4/c1-18-5-6-20(16-19(18)2)21-17-22-25(33)29(13-14-31(22)27-21)8-7-24(32)28-9-11-30(12-10-28)26(34)23-4-3-15-35-23/h3-6,13-17H,7-12H2,1-2H3
InChIKeyUBTMSEXZWQNYRJ-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.75
Rot. Bonds5

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

2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53332845) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53332845
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCN(C(=O)c5ccco5)CC4)ccn3n2)cc1C
InChIInChI=1S/C26H27N5O4/c1-18-5-6-20(16-19(18)2)21-17-22-25(33)29(13-14-31(22)27-21)8-7-24(32)28-9-11-30(12-10-28)26(34)23-4-3-15-35-23/h3-6,13-17H,7-12H2,1-2H3
InChIKeyUBTMSEXZWQNYRJ-UHFFFAOYSA-N
XLogP2.75
TPSA93.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53332841
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-propylpropanamide
CID 53332228
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 53332269
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332247
2-(4-ethoxyphenyl)-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332928
2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 27371178
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-2-carboxamide
CID 91909242
[4-[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38911311
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109030150
3-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 55486391
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide
CID 91892847
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-(2-methylphenyl)butane-1,4-dione
CID 110414523

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one (CID 53332845) is 2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCN(C(=O)c5ccco5)CC4)ccn3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is UBTMSEXZWQNYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-18-5-6-20(16-19(18)2)21-17-22-25(33)29(13-14-31(22)27-21)8-7-24(32)28-9-11-30(12-10-28)26(34)23-4-3-15-35-23/h3-6,13-17H,7-12H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 473.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53332845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).