2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione

C20H15ClFN3O2 — CID 57390150

IUPAC2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESO=C1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N1CCc1ccc(F)cc1
InChIInChI=1S/C20H15ClFN3O2/c21-15-5-3-14(4-6-15)17-11-18-20(27)24(19(26)12-25(18)23-17)10-9-13-1-7-16(22)8-2-13/h1-8,11H,9-10,12H2
InChIKeySHRWRBQVHPMBNN-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.57
Rot. Bonds4

About 2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione

2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (PubChem CID 57390150) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
PubChem CID57390150
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESO=C1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N1CCc1ccc(F)cc1
InChIInChI=1S/C20H15ClFN3O2/c21-15-5-3-14(4-6-15)17-11-18-20(27)24(19(26)12-25(18)23-17)10-9-13-1-7-16(22)8-2-13/h1-8,11H,9-10,12H2
InChIKeySHRWRBQVHPMBNN-UHFFFAOYSA-N
XLogP3.57
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 15603837
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 11408036
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 21868807
(3-chloro-5-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 137662068
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)-2H-pyrazolo[3,4-c]pyridin-7(6H)-one
CID 11407971
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one
CID 42617975
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617976
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617977
6-Tert-butyl-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617978
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617979
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617980
1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide
CID 165416442

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The IUPAC name of 2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (CID 57390150) is 2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The canonical SMILES for 2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is O=C1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N1CCc1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The InChIKey is SHRWRBQVHPMBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c21-15-5-3-14(4-6-15)17-11-18-20(27)24(19(26)12-25(18)23-17)10-9-13-1-7-16(22)8-2-13/h1-8,11H,9-10,12H2.
What are the key properties of 2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione has a molecular weight of 383.81 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[2-(4-fluorophenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is sourced from PubChem (CID 57390150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).