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

C20H18N2O4S — CID 4678785

IUPAC[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(C2CC(c3cccs3)=NN2C(=O)c2ccco2)cc1OC
InChIInChI=1S/C20H18N2O4S/c1-24-16-8-7-13(11-18(16)25-2)15-12-14(19-6-4-10-27-19)21-22(15)20(23)17-5-3-9-26-17/h3-11,15H,12H2,1-2H3
InChIKeyGHSNRIDSNNBBFP-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.35
Rot. Bonds5

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

[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (PubChem CID 4678785) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
PubChem CID4678785
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(C2CC(c3cccs3)=NN2C(=O)c2ccco2)cc1OC
InChIInChI=1S/C20H18N2O4S/c1-24-16-8-7-13(11-18(16)25-2)15-12-14(19-6-4-10-27-19)21-22(15)20(23)17-5-3-9-26-17/h3-11,15H,12H2,1-2H3
InChIKeyGHSNRIDSNNBBFP-UHFFFAOYSA-N
XLogP4.35
TPSA64.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (CID 4678785) is [3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is COc1ccc(C2CC(c3cccs3)=NN2C(=O)c2ccco2)cc1OC.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The InChIKey is GHSNRIDSNNBBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-24-16-8-7-13(11-18(16)25-2)15-12-14(19-6-4-10-27-19)21-22(15)20(23)17-5-3-9-26-17/h3-11,15H,12H2,1-2H3.
What are the key properties of [3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone has a molecular weight of 382.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 4678785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).