5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

C20H18N2O2 — CID 2953052

IUPAC5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CC(c2ccco2)=NN1c1ccccc1
InChIInChI=1S/C20H18N2O2/c1-23-19-11-6-5-10-16(19)18-14-17(20-12-7-13-24-20)21-22(18)15-8-3-2-4-9-15/h2-13,18H,14H2,1H3
InChIKeyZTGYFLKXXLDVSR-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.64
Rot. Bonds4

About 5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 2953052) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID2953052
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CC(c2ccco2)=NN1c1ccccc1
InChIInChI=1S/C20H18N2O2/c1-23-19-11-6-5-10-16(19)18-14-17(20-12-7-13-24-20)21-22(18)15-8-3-2-4-9-15/h2-13,18H,14H2,1H3
InChIKeyZTGYFLKXXLDVSR-UHFFFAOYSA-N
XLogP4.64
TPSA37.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (CID 2953052) is 5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccccc1C1CC(c2ccco2)=NN1c1ccccc1.
What is the InChIKey of 5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is ZTGYFLKXXLDVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-23-19-11-6-5-10-16(19)18-14-17(20-12-7-13-24-20)21-22(18)15-8-3-2-4-9-15/h2-13,18H,14H2,1H3.
What are the key properties of 5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 318.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2953052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).