5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione

C20H25N3O2 — CID 161423168

IUPAC5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
SMILESCCc1ccccc1CC(=O)CCC(=O)N1CCCn2nc(C)cc21
InChIInChI=1S/C20H25N3O2/c1-3-16-7-4-5-8-17(16)14-18(24)9-10-20(25)22-11-6-12-23-19(22)13-15(2)21-23/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3
InChIKeyBFCNCBQWSUPQAN-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.08
Rot. Bonds6

About 5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione

5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione (PubChem CID 161423168) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione.

Molecular Properties

Compound Name5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
PubChem CID161423168
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
SMILESCCc1ccccc1CC(=O)CCC(=O)N1CCCn2nc(C)cc21
InChIInChI=1S/C20H25N3O2/c1-3-16-7-4-5-8-17(16)14-18(24)9-10-20(25)22-11-6-12-23-19(22)13-15(2)21-23/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3
InChIKeyBFCNCBQWSUPQAN-UHFFFAOYSA-N
XLogP3.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-Dimethyl-1H-pyrazol-5-yl)-1H-isoindole-1,3(2H)-dione
CID 2811961
5H-Pyrazolo(3,4-c)isoquinolin-5-one, 3,4-dihydro-1,3-dimethyl-4-(2-(4-phenyl-1-piperazinyl)ethyl)-, hydrochloride
CID 3057684
7-[(2,5-Dimethylphenyl)methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one
CID 16027130
(4-fluorophenyl)-[2-methyl-3-(2-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 134808576
2-[2-methyl-4-(3-phenylpropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 134806840
N-[(4-Fluorophenyl)methyl]-4-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanamide
CID 20928947
N-[(2-Fluorophenyl)methyl]-4-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanamide
CID 20928968
N-[(3-Fluorophenyl)methyl]-4-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}-4-oxobutanamide
CID 46282436
1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195723
2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 134809978
2-[4-[2-(3-fluorophenyl)acetyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 134810034
4-Ethyl-2-phenyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-7-one
CID 137655199

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
The IUPAC name of 5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione (CID 161423168) is 5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione.
What is the SMILES notation for 5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
The canonical SMILES for 5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione is CCc1ccccc1CC(=O)CCC(=O)N1CCCn2nc(C)cc21.
What is the InChIKey of 5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
The InChIKey is BFCNCBQWSUPQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-16-7-4-5-8-17(16)14-18(24)9-10-20(25)22-11-6-12-23-19(22)13-15(2)21-23/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3.
What are the key properties of 5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione has a molecular weight of 339.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione is sourced from PubChem (CID 161423168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).