5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one

C22H20N2O3 — CID 71214417

IUPAC5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one
SMILESCCc1cc(-c2[nH][nH]c(=O)c2-c2cccc3ccccc23)c(O)cc1OC
InChIInChI=1S/C22H20N2O3/c1-3-13-11-17(18(25)12-19(13)27-2)21-20(22(26)24-23-21)16-10-6-8-14-7-4-5-9-15(14)16/h4-12,25H,3H2,1-2H3,(H2,23,24,26)
InChIKeyKYKXWXQHLZJVJW-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.47
Rot. Bonds4

About 5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one

5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one (PubChem CID 71214417) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one
PubChem CID71214417
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one
SMILESCCc1cc(-c2[nH][nH]c(=O)c2-c2cccc3ccccc23)c(O)cc1OC
InChIInChI=1S/C22H20N2O3/c1-3-13-11-17(18(25)12-19(13)27-2)21-20(22(26)24-23-21)16-10-6-8-14-7-4-5-9-15(14)16/h4-12,25H,3H2,1-2H3,(H2,23,24,26)
InChIKeyKYKXWXQHLZJVJW-UHFFFAOYSA-N
XLogP4.47
TPSA78.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one (CID 71214417) is 5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one is CCc1cc(-c2[nH][nH]c(=O)c2-c2cccc3ccccc23)c(O)cc1OC.
What is the InChIKey of 5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one?
The InChIKey is KYKXWXQHLZJVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-3-13-11-17(18(25)12-19(13)27-2)21-20(22(26)24-23-21)16-10-6-8-14-7-4-5-9-15(14)16/h4-12,25H,3H2,1-2H3,(H2,23,24,26).
What are the key properties of 5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one?
5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one has a molecular weight of 360.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 71214417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).