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

C20H18N2O5 — CID 2952169

IUPAC[5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccco3)C2)cc1OC
InChIInChI=1S/C20H18N2O5/c1-24-17-8-7-13(11-19(17)25-2)14-12-15(16-5-3-9-26-16)22(21-14)20(23)18-6-4-10-27-18/h3-11,15H,12H2,1-2H3
InChIKeyKDQPMRNNDQJRQJ-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.88
Rot. Bonds5

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

[5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (PubChem CID 2952169) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
PubChem CID2952169
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccco3)C2)cc1OC
InChIInChI=1S/C20H18N2O5/c1-24-17-8-7-13(11-19(17)25-2)14-12-15(16-5-3-9-26-16)22(21-14)20(23)18-6-4-10-27-18/h3-11,15H,12H2,1-2H3
InChIKeyKDQPMRNNDQJRQJ-UHFFFAOYSA-N
XLogP3.88
TPSA77.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (CID 2952169) is [5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is COc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccco3)C2)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The InChIKey is KDQPMRNNDQJRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-24-17-8-7-13(11-19(17)25-2)14-12-15(16-5-3-9-26-16)22(21-14)20(23)18-6-4-10-27-18/h3-11,15H,12H2,1-2H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
[5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone has a molecular weight of 366.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 2952169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).