furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone

C21H18N2O3 — CID 126706055

IUPACfuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccco2)cc1
InChIInChI=1S/C21H18N2O3/c1-25-17-11-9-16(10-12-17)19-14-18(15-6-3-2-4-7-15)22-23(19)21(24)20-8-5-13-26-20/h2-13,19H,14H2,1H3
InChIKeyTVNIOUPUEVPUTG-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.28
Rot. Bonds4

About furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone

furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 126706055) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID126706055
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Namefuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccco2)cc1
InChIInChI=1S/C21H18N2O3/c1-25-17-11-9-16(10-12-17)19-14-18(15-6-3-2-4-7-15)22-23(19)21(24)20-8-5-13-26-20/h2-13,19H,14H2,1H3
InChIKeyTVNIOUPUEVPUTG-UHFFFAOYSA-N
XLogP4.28
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone (CID 126706055) is furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone is COc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccco2)cc1.
What is the InChIKey of furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is TVNIOUPUEVPUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-25-17-11-9-16(10-12-17)19-14-18(15-6-3-2-4-7-15)22-23(19)21(24)20-8-5-13-26-20/h2-13,19H,14H2,1H3.
What are the key properties of furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 346.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 126706055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).