5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole

C17H18N2O2 — CID 11529278

IUPAC5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C17H18N2O2/c1-20-16-9-8-13(12-17(16)21-2)15-10-11-19(18-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyDSHRIDMCHQEZIA-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.32
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole

5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 11529278) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID11529278
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C17H18N2O2/c1-20-16-9-8-13(12-17(16)21-2)15-10-11-19(18-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyDSHRIDMCHQEZIA-UHFFFAOYSA-N
XLogP3.32
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole (CID 11529278) is 5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccccc3)CC2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is DSHRIDMCHQEZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-20-16-9-8-13(12-17(16)21-2)15-10-11-19(18-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 282.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 11529278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).