4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one

C22H20N2O3 — CID 90670136

IUPAC4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc2c(Cc3c(-c4ccc(C)cc4)[nH][nH]c3=O)c(O)ccc2c1
InChIInChI=1S/C22H20N2O3/c1-13-3-5-14(6-4-13)21-19(22(26)24-23-21)12-18-17-9-8-16(27-2)11-15(17)7-10-20(18)25/h3-11,25H,12H2,1-2H3,(H2,23,24,26)
InChIKeyVUHDRGMYTVXUOW-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.14
Rot. Bonds4

About 4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one

4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one (PubChem CID 90670136) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one
PubChem CID90670136
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc2c(Cc3c(-c4ccc(C)cc4)[nH][nH]c3=O)c(O)ccc2c1
InChIInChI=1S/C22H20N2O3/c1-13-3-5-14(6-4-13)21-19(22(26)24-23-21)12-18-17-9-8-16(27-2)11-15(17)7-10-20(18)25/h3-11,25H,12H2,1-2H3,(H2,23,24,26)
InChIKeyVUHDRGMYTVXUOW-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N'-(4-methoxybenzoyl)-2-naphthohydrazide
CID 774191
2'-(4-Methoxybenzoyl)-1-naphthohydrazide
CID 96764
1-hydroxy-N'-(3-methoxybenzoyl)-2-naphthohydrazide
CID 774189
3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093
5-Naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one
CID 46886110
2-Methoxy-benzoic acid N'-(1-hydroxy-naphthalene-2-carbonyl)-hydrazide
CID 774188
3-hydroxy-N'-(2-methoxybenzoyl)-2-naphthohydrazide
CID 789909
4-hydroxy-N'-[(4-methoxy-1-naphthyl)methylene]benzohydrazide
CID 6875509
4-[(2-Hydroxy-6-phenylnaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one
CID 90654860
4-[(6-Bromo-2-hydroxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one
CID 90654861
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzohydrazide
CID 135419607
3-methoxy-N''-salicyloyl-naphthalene-2-carbohydrazide
CID 7535086

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one (CID 90670136) is 4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one is COc1ccc2c(Cc3c(-c4ccc(C)cc4)[nH][nH]c3=O)c(O)ccc2c1.
What is the InChIKey of 4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is VUHDRGMYTVXUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-13-3-5-14(6-4-13)21-19(22(26)24-23-21)12-18-17-9-8-16(27-2)11-15(17)7-10-20(18)25/h3-11,25H,12H2,1-2H3,(H2,23,24,26).
What are the key properties of 4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one?
4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 360.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 90670136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).