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

C19H20N2O5 — CID 46865313

IUPAC5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2[nH][nH]c(=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H20N2O5/c1-23-13-7-5-11(6-8-13)17-16(19(22)21-20-17)12-9-14(24-2)18(26-4)15(10-12)25-3/h5-10H,1-4H3,(H2,20,21,22)
InChIKeyNGWJFWMZTHAFCB-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.07
Rot. Bonds6

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

5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one (PubChem CID 46865313) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one
PubChem CID46865313
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2[nH][nH]c(=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H20N2O5/c1-23-13-7-5-11(6-8-13)17-16(19(22)21-20-17)12-9-14(24-2)18(26-4)15(10-12)25-3/h5-10H,1-4H3,(H2,20,21,22)
InChIKeyNGWJFWMZTHAFCB-UHFFFAOYSA-N
XLogP3.07
TPSA85.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one (CID 46865313) is 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one is COc1ccc(-c2[nH][nH]c(=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is NGWJFWMZTHAFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-23-13-7-5-11(6-8-13)17-16(19(22)21-20-17)12-9-14(24-2)18(26-4)15(10-12)25-3/h5-10H,1-4H3,(H2,20,21,22).
What are the key properties of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one?
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 356.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 46865313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).