furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone

C19H16N2O4S — CID 136915182

IUPACfuran-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1cc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccs3)C2)ccc1O
InChIInChI=1S/C19H16N2O4S/c1-24-17-10-12(6-7-15(17)22)13-11-14(18-5-3-9-26-18)21(20-13)19(23)16-4-2-8-25-16/h2-10,14,22H,11H2,1H3/t14-/m1/s1
InChIKeyRFUUXLKFJRESAL-CQSZACIVSA-N
MW368.41 g/mol
LogP4.05
Rot. Bonds4

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

furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 136915182) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID136915182
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Namefuran-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1cc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccs3)C2)ccc1O
InChIInChI=1S/C19H16N2O4S/c1-24-17-10-12(6-7-15(17)22)13-11-14(18-5-3-9-26-18)21(20-13)19(23)16-4-2-8-25-16/h2-10,14,22H,11H2,1H3/t14-/m1/s1
InChIKeyRFUUXLKFJRESAL-CQSZACIVSA-N
XLogP4.05
TPSA75.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Related Compounds

furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
CID 91653669
[(3S)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 100750142
(2S)-1-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-methoxy-2-phenylethanone
CID 136915202
(2S)-1-[(3S)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-methoxy-2-phenylethanone
CID 136915201
N-[4-[2-(furan-2-carbonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 18553560
[(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 7424590
[(3S)-3-(3,5-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 136883770
furan-2-yl-[(3S)-5-thiophen-3-yl-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 99802094
furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 86805889
furan-2-yl-[(3R)-3-(2-hydroxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 97079923
furan-2-yl-[(3R)-5-(furan-2-yl)-3-(2-hydroxy-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41105781
[(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 97310305

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (CID 136915182) is furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is COc1cc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccs3)C2)ccc1O.
What is the InChIKey of furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is RFUUXLKFJRESAL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-24-17-10-12(6-7-15(17)22)13-11-14(18-5-3-9-26-18)21(20-13)19(23)16-4-2-8-25-16/h2-10,14,22H,11H2,1H3/t14-/m1/s1.
What are the key properties of furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 368.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 136915182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).