5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one

C23H23N3O4 — CID 56666577

IUPAC5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(CCOCCO)c(-c4ccccc4)cn3n2)cc1
InChIInChI=1S/C23H23N3O4/c1-29-19-9-7-17(8-10-19)20-15-21-23(28)25(11-13-30-14-12-27)22(16-26(21)24-20)18-5-3-2-4-6-18/h2-10,15-16,27H,11-14H2,1H3
InChIKeyDBXGZCGNDLJREG-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.85
Rot. Bonds8

About 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one

5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 56666577) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID56666577
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(CCOCCO)c(-c4ccccc4)cn3n2)cc1
InChIInChI=1S/C23H23N3O4/c1-29-19-9-7-17(8-10-19)20-15-21-23(28)25(11-13-30-14-12-27)22(16-26(21)24-20)18-5-3-2-4-6-18/h2-10,15-16,27H,11-14H2,1H3
InChIKeyDBXGZCGNDLJREG-UHFFFAOYSA-N
XLogP2.85
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 11237218
2-Methyl-2-[2-methyl-4-[[[1-methyl-5-(4-prop-2-enoxyphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 11259787
2-Methyl-2-[2-methyl-4-[[[1-methyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 11352791
2-[4-[[[3-(4-Tert-butylphenyl)-1-(2-methoxyethyl)pyrazole-5-carbonyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoic acid
CID 11432162
Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
5-(4-fluorophenyl)-2-(p-tolyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57410027
5-(4-Methylphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973913
(E)-N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-4-(dimethylamino)-N-methylbut-2-enamide
CID 132071398
N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide
CID 132071404
4-amino-1-[(3R)-1-[(E)-4-morpholin-4-ylbut-2-enoyl]piperidin-3-yl]-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one
CID 132071626
N-(1-benzylpiperidin-4-yl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
CID 3236551
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-(4-methoxybenzyl)acetamide
CID 16028260

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one (CID 56666577) is 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2cc3c(=O)n(CCOCCO)c(-c4ccccc4)cn3n2)cc1.
What is the InChIKey of 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DBXGZCGNDLJREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-19-9-7-17(8-10-19)20-15-21-23(28)25(11-13-30-14-12-27)22(16-26(21)24-20)18-5-3-2-4-6-18/h2-10,15-16,27H,11-14H2,1H3.
What are the key properties of 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one?
5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 405.45 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 56666577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).