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

C18H20FN5O2 — CID 146046332

IUPAC2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2C1=O
InChIInChI=1S/C18H20FN5O2/c1-21-6-11-24-16(18(21)26)12-15(20-24)17(25)23-9-7-22(8-10-23)14-4-2-13(19)3-5-14/h2-5,12H,6-11H2,1H3
InChIKeyJVFKLQKSTPFOHG-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.07
Rot. Bonds2

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

2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 146046332) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID146046332
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2C1=O
InChIInChI=1S/C18H20FN5O2/c1-21-6-11-24-16(18(21)26)12-15(20-24)17(25)23-9-7-22(8-10-23)14-4-2-13(19)3-5-14/h2-5,12H,6-11H2,1H3
InChIKeyJVFKLQKSTPFOHG-UHFFFAOYSA-N
XLogP1.07
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146044273
5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 154567222
2-methyl-8-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 146041793
5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146044926
N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 20919478
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147286
2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 154567312
[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 91889706
2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(4-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077184
2-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 170511501

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 146046332) is 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN1CCn2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2C1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is JVFKLQKSTPFOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-21-6-11-24-16(18(21)26)12-15(20-24)17(25)23-9-7-22(8-10-23)14-4-2-13(19)3-5-14/h2-5,12H,6-11H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 357.39 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 146046332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).