2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one

C25H23ClN4O3 — CID 71823989

IUPAC2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2cc3c(=O)n(Cc4ccc(N5CCCC5=O)cc4)ccn3n2)cc1Cl
InChIInChI=1S/C25H23ClN4O3/c1-2-33-23-10-7-18(14-20(23)26)21-15-22-25(32)28(12-13-30(22)27-21)16-17-5-8-19(9-6-17)29-11-3-4-24(29)31/h5-10,12-15H,2-4,11,16H2,1H3
InChIKeyKGYMUDJBZZPOPU-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.39
Rot. Bonds6

About 2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one

2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 71823989) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID71823989
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2cc3c(=O)n(Cc4ccc(N5CCCC5=O)cc4)ccn3n2)cc1Cl
InChIInChI=1S/C25H23ClN4O3/c1-2-33-23-10-7-18(14-20(23)26)21-15-22-25(32)28(12-13-30(22)27-21)16-17-5-8-19(9-6-17)29-11-3-4-24(29)31/h5-10,12-15H,2-4,11,16H2,1H3
InChIKeyKGYMUDJBZZPOPU-UHFFFAOYSA-N
XLogP4.39
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53043141
2-(2-chlorophenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 71802699
2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53043138
5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 27371202
2-(4-ethoxyphenyl)-7-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50786665
ethyl 2-[2-(3-chloro-4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetate
CID 30849885
1-[4-[1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 48826332
2-[2-(3-chloro-4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetonitrile
CID 30849887
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46486165
2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092949
1-[4-[[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690458
5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one
CID 171146184

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 71823989) is 2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one is CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(N5CCCC5=O)cc4)ccn3n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KGYMUDJBZZPOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-2-33-23-10-7-18(14-20(23)26)21-15-22-25(32)28(12-13-30(22)27-21)16-17-5-8-19(9-6-17)29-11-3-4-24(29)31/h5-10,12-15H,2-4,11,16H2,1H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 462.94 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 71823989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).