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

C19H19FN2O5 — CID 46865207

IUPAC5-(3-fluoro-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)cc1F
InChIInChI=1S/C19H19FN2O5/c1-24-13-6-5-10(7-12(13)20)17-16(19(23)22-21-17)11-8-14(25-2)18(27-4)15(9-11)26-3/h5-9H,1-4H3,(H2,21,22,23)
InChIKeyVOTLNKNOXFPOAW-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.21
Rot. Bonds6

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

5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one (PubChem CID 46865207) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one
PubChem CID46865207
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name5-(3-fluoro-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)cc1F
InChIInChI=1S/C19H19FN2O5/c1-24-13-6-5-10(7-12(13)20)17-16(19(23)22-21-17)11-8-14(25-2)18(27-4)15(9-11)26-3/h5-9H,1-4H3,(H2,21,22,23)
InChIKeyVOTLNKNOXFPOAW-UHFFFAOYSA-N
XLogP3.21
TPSA85.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one (CID 46865207) is 5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(3-fluoro-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)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is VOTLNKNOXFPOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-24-13-6-5-10(7-12(13)20)17-16(19(23)22-21-17)11-8-14(25-2)18(27-4)15(9-11)26-3/h5-9H,1-4H3,(H2,21,22,23).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one?
5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 374.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 46865207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).