2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H18FN5O3 — CID 154567312

IUPAC2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(C(=O)N3CCNC(=O)C3c3cccc(F)c3)cc2C1=O
InChIInChI=1S/C18H18FN5O3/c1-22-7-8-24-14(18(22)27)10-13(21-24)17(26)23-6-5-20-16(25)15(23)11-3-2-4-12(19)9-11/h2-4,9-10,15H,5-8H2,1H3,(H,20,25)
InChIKeyGPEITCBJJSAUBK-UHFFFAOYSA-N
MW371.37 g/mol
LogP0.42
Rot. Bonds2

About 2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 154567312) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID154567312
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(C(=O)N3CCNC(=O)C3c3cccc(F)c3)cc2C1=O
InChIInChI=1S/C18H18FN5O3/c1-22-7-8-24-14(18(22)27)10-13(21-24)17(26)23-6-5-20-16(25)15(23)11-3-2-4-12(19)9-11/h2-4,9-10,15H,5-8H2,1H3,(H,20,25)
InChIKeyGPEITCBJJSAUBK-UHFFFAOYSA-N
XLogP0.42
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 77090341
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(3S)-3-(3-fluorophenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
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(3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one
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2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146046332
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[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504
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(2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide
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(3S)-4-[2-(1H-benzimidazol-2-yl)acetyl]-3-(3-fluorophenyl)piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 154567312) is 2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN1CCn2nc(C(=O)N3CCNC(=O)C3c3cccc(F)c3)cc2C1=O.
What is the InChIKey of 2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GPEITCBJJSAUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-22-7-8-24-14(18(22)27)10-13(21-24)17(26)23-6-5-20-16(25)15(23)11-3-2-4-12(19)9-11/h2-4,9-10,15H,5-8H2,1H3,(H,20,25).
What are the key properties of 2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 371.37 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 154567312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).