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

C26H28FN5O3 — CID 42875198

IUPAC2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc3n(n2)CCN(Cc2ccccc2F)C3=O)CC1
InChIInChI=1S/C26H28FN5O3/c1-2-35-24-10-6-5-9-22(24)29-11-13-30(14-12-29)25(33)21-17-23-26(34)31(15-16-32(23)28-21)18-19-7-3-4-8-20(19)27/h3-10,17H,2,11-16,18H2,1H3
InChIKeyKKJVYYKNYVITGK-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.04
Rot. Bonds6

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

2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 42875198) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID42875198
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc3n(n2)CCN(Cc2ccccc2F)C3=O)CC1
InChIInChI=1S/C26H28FN5O3/c1-2-35-24-10-6-5-9-22(24)29-11-13-30(14-12-29)25(33)21-17-23-26(34)31(15-16-32(23)28-21)18-19-7-3-4-8-20(19)27/h3-10,17H,2,11-16,18H2,1H3
InChIKeyKKJVYYKNYVITGK-UHFFFAOYSA-N
XLogP3.04
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(4-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077184
5-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077476
5-[(3-methoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 42875223
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077212
5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46078746
N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24715546
3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35514756
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903659
N-cyclohexyl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077194
2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 9415255
5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169272
5-[(2-chlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169273

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 42875198) is 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CCOc1ccccc1N1CCN(C(=O)c2cc3n(n2)CCN(Cc2ccccc2F)C3=O)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KKJVYYKNYVITGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-2-35-24-10-6-5-9-22(24)29-11-13-30(14-12-29)25(33)21-17-23-26(34)31(15-16-32(23)28-21)18-19-7-3-4-8-20(19)27/h3-10,17H,2,11-16,18H2,1H3.
What are the key properties of 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 477.54 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 42875198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).