2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one

C20H18FN3O — CID 122369527

IUPAC2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
SMILESO=C1Cn2nc(-c3ccc(F)cc3)cc2CN1CCc1ccccc1
InChIInChI=1S/C20H18FN3O/c21-17-8-6-16(7-9-17)19-12-18-13-23(20(25)14-24(18)22-19)11-10-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2
InChIKeyWETNDPQRKQJWEO-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.27
Rot. Bonds4

About 2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one

2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one (PubChem CID 122369527) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
PubChem CID122369527
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
SMILESO=C1Cn2nc(-c3ccc(F)cc3)cc2CN1CCc1ccccc1
InChIInChI=1S/C20H18FN3O/c21-17-8-6-16(7-9-17)19-12-18-13-23(20(25)14-24(18)22-19)11-10-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2
InChIKeyWETNDPQRKQJWEO-UHFFFAOYSA-N
XLogP3.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione
CID 53333641
2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 118061988
2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine
CID 54597175
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 90516529
1-benzyl-3,5-bis(4-fluorophenyl)pyrazole
CID 19587500
5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
CID 57393658
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
2-[4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;methane
CID 157130330
2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one
CID 46849277
(6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one
CID 15982290
2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole
CID 175947440
2,7-diphenyl-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one
CID 56956505

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one (CID 122369527) is 2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one is O=C1Cn2nc(-c3ccc(F)cc3)cc2CN1CCc1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one?
The InChIKey is WETNDPQRKQJWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-17-8-6-16(7-9-17)19-12-18-13-23(20(25)14-24(18)22-19)11-10-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2.
What are the key properties of 2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one?
2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one has a molecular weight of 335.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 122369527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).