4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C19H22FN5O2 — CID 20928916

IUPAC4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cc2n(n1)CCC(=O)N2CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN5O2/c1-14-12-17-24(18(26)6-7-25(17)21-14)13-19(27)23-10-8-22(9-11-23)16-4-2-15(20)3-5-16/h2-5,12H,6-11,13H2,1H3
InChIKeyGIJXCTJJEKZNLK-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.42
Rot. Bonds3

About 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 20928916) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID20928916
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cc2n(n1)CCC(=O)N2CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN5O2/c1-14-12-17-24(18(26)6-7-25(17)21-14)13-19(27)23-10-8-22(9-11-23)16-4-2-15(20)3-5-16/h2-5,12H,6-11,13H2,1H3
InChIKeyGIJXCTJJEKZNLK-UHFFFAOYSA-N
XLogP1.42
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920117
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 46349526
4-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920100
4-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920120
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone
CID 20951632
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928837
2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20929005
(5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9207232
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-1,4-benzoxazin-3-one
CID 46857251
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-iodo-3,5-dimethylpyrazol-1-yl)ethanone
CID 21071008
5-bromo-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110839302

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 20928916) is 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is Cc1cc2n(n1)CCC(=O)N2CC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is GIJXCTJJEKZNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-14-12-17-24(18(26)6-7-25(17)21-14)13-19(27)23-10-8-22(9-11-23)16-4-2-15(20)3-5-16/h2-5,12H,6-11,13H2,1H3.
What are the key properties of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 371.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 20928916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).