5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

C23H20N4O3S — CID 53043175

IUPAC5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)cc1
InChIInChI=1S/C23H20N4O3S/c1-3-29-17-8-6-16(7-9-17)22-24-19(15(2)30-22)14-26-10-11-27-20(23(26)28)13-18(25-27)21-5-4-12-31-21/h4-13H,3,14H2,1-2H3
InChIKeyWNDVEVLVWNGZIH-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.63
Rot. Bonds6

About 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53043175) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID53043175
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)cc1
InChIInChI=1S/C23H20N4O3S/c1-3-29-17-8-6-16(7-9-17)22-24-19(15(2)30-22)14-26-10-11-27-20(23(26)28)13-18(25-27)21-5-4-12-31-21/h4-13H,3,14H2,1-2H3
InChIKeyWNDVEVLVWNGZIH-UHFFFAOYSA-N
XLogP4.63
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 16190663
methyl 6-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate
CID 3236501
methyl 4-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 3244174
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 71796650
1-[5-[2-(4-Hydroxyphenyl)-1,3-benzoxazol-5-yl]-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 168288937
1-[5-[2-(4-Methoxyphenyl)-1,3-benzoxazol-5-yl]-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 171345168
2-({5-Methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-YL}methyl)-1H,2H,7H,8H,9H,10H-pyrazino[1,2-B]indazol-1-one
CID 91890156
N-{2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}-2-(thiophen-2-yl)acetamide
CID 91892735
2-(4-ethylphenyl)-5-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27371196
4-({[2-(4-Isopropoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
CID 45498575
1-((2-(4-Isopropoxyphenyl)-5-methyloxazol-4-yl)methyl)-8-phenylpyrazolo[1,5-d][1,2,4]triazinone
CID 71802718
2-(4-methoxyphenyl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 16956487

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 53043175) is 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is CCOc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)cc1.
What is the InChIKey of 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WNDVEVLVWNGZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-3-29-17-8-6-16(7-9-17)22-24-19(15(2)30-22)14-26-10-11-27-20(23(26)28)13-18(25-27)21-5-4-12-31-21/h4-13H,3,14H2,1-2H3.
What are the key properties of 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 432.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53043175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).