5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C25H22Cl2F3N5O2 — CID 46169310

IUPAC5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H22Cl2F3N5O2/c26-19-5-4-16(12-20(19)27)15-34-10-11-35-22(24(34)37)14-21(31-35)23(36)33-8-6-32(7-9-33)18-3-1-2-17(13-18)25(28,29)30/h1-5,12-14H,6-11,15H2
InChIKeyUJEKKVAGZHNUDC-UHFFFAOYSA-N
MW552.38 g/mol
LogP4.83
Rot. Bonds4

About 5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 46169310) has the molecular formula C25H22Cl2F3N5O2 and a molecular weight of 552.38 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID46169310
Molecular FormulaC25H22Cl2F3N5O2
Molecular Weight552.38 g/mol
Exact Mass551.11
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H22Cl2F3N5O2/c26-19-5-4-16(12-20(19)27)15-34-10-11-35-22(24(34)37)14-21(31-35)23(36)33-8-6-32(7-9-33)18-3-1-2-17(13-18)25(28,29)30/h1-5,12-14H,6-11,15H2
InChIKeyUJEKKVAGZHNUDC-UHFFFAOYSA-N
XLogP4.83
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169273
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077346
2-(4-benzylpiperidine-1-carbonyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077340
5-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077271
5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875331
5-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077476
5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169272
2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(4-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077184
5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 50797858
5-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 53086332
5-[(3-methoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 42875223
[1,2,4]triazolo[4,3-b]pyridazin-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 146079038

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 46169310) is 5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C(c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is UJEKKVAGZHNUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2F3N5O2/c26-19-5-4-16(12-20(19)27)15-34-10-11-35-22(24(34)37)14-21(31-35)23(36)33-8-6-32(7-9-33)18-3-1-2-17(13-18)25(28,29)30/h1-5,12-14H,6-11,15H2.
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 552.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 46169310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).