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

C23H22ClN3O2 — CID 53043138

IUPAC2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)cc1Cl
InChIInChI=1S/C23H22ClN3O2/c1-4-29-22-8-7-17(12-19(22)24)20-13-21-23(28)26(9-10-27(21)25-20)14-18-11-15(2)5-6-16(18)3/h5-13H,4,14H2,1-3H3
InChIKeyHYUVUNILIQWFRA-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.88
Rot. Bonds5

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

2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53043138) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53043138
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)cc1Cl
InChIInChI=1S/C23H22ClN3O2/c1-4-29-22-8-7-17(12-19(22)24)20-13-21-23(28)26(9-10-27(21)25-20)14-18-11-15(2)5-6-16(18)3/h5-13H,4,14H2,1-3H3
InChIKeyHYUVUNILIQWFRA-UHFFFAOYSA-N
XLogP4.88
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(4-butoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092928
2-(3-chloro-4-ethoxyphenyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 71823989
5-[(2S)-2-(4-ethoxyphenyl)-2-hydroxyethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125126520
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 27372325
ethyl 2-[2-(3-chloro-4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetate
CID 30849885
5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889262
5-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53076232
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093080
2-[2-(3-chloro-4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetonitrile
CID 30849887
2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889236
5-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889270

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 53043138) is 2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one is CCOc1ccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HYUVUNILIQWFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-4-29-22-8-7-17(12-19(22)24)20-13-21-23(28)26(9-10-27(21)25-20)14-18-11-15(2)5-6-16(18)3/h5-13H,4,14H2,1-3H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 407.90 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53043138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).