5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one

C22H20N2O4 — CID 46886110

IUPAC5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1cc(-c2c(-c3ccc4ccccc4c3)[nH][nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C22H20N2O4/c1-26-17-11-16(12-18(27-2)21(17)28-3)19-20(23-24-22(19)25)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,1-3H3,(H2,23,24,25)
InChIKeyXBYPUXHHORJEPO-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.22
Rot. Bonds5

About 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one

5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one (PubChem CID 46886110) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one
PubChem CID46886110
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1cc(-c2c(-c3ccc4ccccc4c3)[nH][nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C22H20N2O4/c1-26-17-11-16(12-18(27-2)21(17)28-3)19-20(23-24-22(19)25)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,1-3H3,(H2,23,24,25)
InChIKeyXBYPUXHHORJEPO-UHFFFAOYSA-N
XLogP4.22
TPSA76.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one (CID 46886110) is 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one is COc1cc(-c2c(-c3ccc4ccccc4c3)[nH][nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is XBYPUXHHORJEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-26-17-11-16(12-18(27-2)21(17)28-3)19-20(23-24-22(19)25)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,1-3H3,(H2,23,24,25).
What are the key properties of 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one?
5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 376.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 46886110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).