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

C18H18N2O2 — CID 2888100

IUPAC1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(C)=O)cc1
InChIInChI=1S/C18H18N2O2/c1-13(21)20-18(15-8-10-16(22-2)11-9-15)12-17(19-20)14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3
InChIKeyZPDSCMQRJLPXDN-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.39
Rot. Bonds3

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

1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 2888100) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID2888100
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(C)=O)cc1
InChIInChI=1S/C18H18N2O2/c1-13(21)20-18(15-8-10-16(22-2)11-9-15)12-17(19-20)14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3
InChIKeyZPDSCMQRJLPXDN-UHFFFAOYSA-N
XLogP3.39
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methoxyphenyl)(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 589636
(4-Methoxyphenyl)(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 589746
1-[5-(4-Methoxy-phenyl)-3-(4-nitro-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 3125610
2-Benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
CID 10980260
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
1-(5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11580635
1-(5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2954513
6-(3,4-Dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one
CID 11153159
[4-[2-Acetyl-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155547275
[4-(2-Acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate
CID 155549753
2-allyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475385
5-(4-methoxyphenyl)-1-propionyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2958983

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 2888100) is 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is COc1ccc(C2CC(c3ccccc3)=NN2C(C)=O)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is ZPDSCMQRJLPXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(21)20-18(15-8-10-16(22-2)11-9-15)12-17(19-20)14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 294.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 2888100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).