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

C22H20N2O5 — CID 135558327

IUPAC[3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(C2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1OC
InChIInChI=1S/C22H20N2O5/c1-27-19-10-9-14(12-21(19)28-2)17-13-16(15-6-3-4-7-18(15)25)23-24(17)22(26)20-8-5-11-29-20/h3-12,17,25H,13H2,1-2H3
InChIKeyKUTOVKLALJKPHB-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.99
Rot. Bonds5

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

[3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (PubChem CID 135558327) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
PubChem CID135558327
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name[3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(C2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1OC
InChIInChI=1S/C22H20N2O5/c1-27-19-10-9-14(12-21(19)28-2)17-13-16(15-6-3-4-7-18(15)25)23-24(17)22(26)20-8-5-11-29-20/h3-12,17,25H,13H2,1-2H3
InChIKeyKUTOVKLALJKPHB-UHFFFAOYSA-N
XLogP3.99
TPSA84.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

[5-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 2952169
Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2963372
[3-(3,4-Dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 4678785
(E)-N-(2-(2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 135648145
(5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 5201255
4-(furan-2-carbonyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-one
CID 647552
5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-one
CID 652107
5-(3-ethoxy-4-hydroxyphenyl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1-(2-phenylethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 653711
N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 2883561
1-(2-furoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3147107
1-Benzyl-5-(3-ethoxy-4-hydroxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1,5-dihydro-pyrrol-2-one
CID 3154121
2-[[(3,4-Dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-[5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester
CID 4626420

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (CID 135558327) is [3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is COc1ccc(C2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1OC.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The InChIKey is KUTOVKLALJKPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-27-19-10-9-14(12-21(19)28-2)17-13-16(15-6-3-4-7-18(15)25)23-24(17)22(26)20-8-5-11-29-20/h3-12,17,25H,13H2,1-2H3.
What are the key properties of [3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
[3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone has a molecular weight of 392.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 135558327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).