1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

C19H20N2O3 — CID 4139131

IUPAC1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(C)=O)c(OC)c1
InChIInChI=1S/C19H20N2O3/c1-13(22)21-18(12-17(20-21)14-7-5-4-6-8-14)16-10-9-15(23-2)11-19(16)24-3/h4-11,18H,12H2,1-3H3
InChIKeyNIJUSBFWIMOEIS-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.40
Rot. Bonds4

About 1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 4139131) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID4139131
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(C)=O)c(OC)c1
InChIInChI=1S/C19H20N2O3/c1-13(22)21-18(12-17(20-21)14-7-5-4-6-8-14)16-10-9-15(23-2)11-19(16)24-3/h4-11,18H,12H2,1-3H3
InChIKeyNIJUSBFWIMOEIS-UHFFFAOYSA-N
XLogP3.40
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 4139131) is 1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is COc1ccc(C2CC(c3ccccc3)=NN2C(C)=O)c(OC)c1.
What is the InChIKey of 1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is NIJUSBFWIMOEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(22)21-18(12-17(20-21)14-7-5-4-6-8-14)16-10-9-15(23-2)11-19(16)24-3/h4-11,18H,12H2,1-3H3.
What are the key properties of 1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 324.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 4139131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).