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

C21H18N2O3 — CID 86805889

IUPACfuran-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1cccc(C2=NN(C(=O)c3ccco3)C(c3ccccc3O)C2)c1
InChIInChI=1S/C21H18N2O3/c1-14-6-4-7-15(12-14)17-13-18(16-8-2-3-9-19(16)24)23(22-17)21(25)20-10-5-11-26-20/h2-12,18,24H,13H2,1H3
InChIKeyPHVUOGYTBFLQJZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.29
Rot. Bonds3

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

furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 86805889) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID86805889
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Namefuran-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1cccc(C2=NN(C(=O)c3ccco3)C(c3ccccc3O)C2)c1
InChIInChI=1S/C21H18N2O3/c1-14-6-4-7-15(12-14)17-13-18(16-8-2-3-9-19(16)24)23(22-17)21(25)20-10-5-11-26-20/h2-12,18,24H,13H2,1H3
InChIKeyPHVUOGYTBFLQJZ-UHFFFAOYSA-N
XLogP4.29
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 97310305
furan-2-yl-[(3R)-3-(2-hydroxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 97079923
1-[(3R)-3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 97182849
furan-2-yl-[(3R)-5-(2-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 135556947
N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 16590143
ethyl 2-[2-[2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 2973260
ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 7172802
[3-(2-chloro-7-methylquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 23797248
[(3S)-3-(3,5-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 136883770
furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
CID 91653669
furan-2-yl-[(3R)-5-(furan-2-yl)-3-(2-hydroxy-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41105781
N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71848033

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone (CID 86805889) is furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone is Cc1cccc(C2=NN(C(=O)c3ccco3)C(c3ccccc3O)C2)c1.
What is the InChIKey of furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is PHVUOGYTBFLQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-14-6-4-7-15(12-14)17-13-18(16-8-2-3-9-19(16)24)23(22-17)21(25)20-10-5-11-26-20/h2-12,18,24H,13H2,1H3.
What are the key properties of furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?
furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 346.39 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 86805889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).