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

C20H15FN2O3 — CID 97310305

IUPAC[(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(c2cccc(F)c2)C[C@H]1c1ccccc1O
InChIInChI=1S/C20H15FN2O3/c21-14-6-3-5-13(11-14)16-12-17(15-7-1-2-8-18(15)24)23(22-16)20(25)19-9-4-10-26-19/h1-11,17,24H,12H2/t17-/m0/s1
InChIKeyHKWDGVKGEILICS-KRWDZBQOSA-N
MW350.35 g/mol
LogP4.12
Rot. Bonds3

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

[(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (PubChem CID 97310305) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is [(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
PubChem CID97310305
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name[(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(c2cccc(F)c2)C[C@H]1c1ccccc1O
InChIInChI=1S/C20H15FN2O3/c21-14-6-3-5-13(11-14)16-12-17(15-7-1-2-8-18(15)24)23(22-16)20(25)19-9-4-10-26-19/h1-11,17,24H,12H2/t17-/m0/s1
InChIKeyHKWDGVKGEILICS-KRWDZBQOSA-N
XLogP4.12
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.12
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

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-(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
N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 16590143
[(3S)-3-(4-fluorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 41062784
[(3S)-3-(3,5-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 136883770
[(3S)-3-(2,4-dichlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 7470951
furan-2-yl-[(3R)-5-(furan-2-yl)-3-(2-hydroxy-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41105781
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
[(3R)-3-(2-chloro-8-methoxyquinolin-3-yl)-5-(3-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 99797634

Frequently Asked Questions

What is the IUPAC name of [(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (CID 97310305) is [(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1N=C(c2cccc(F)c2)C[C@H]1c1ccccc1O.
What is the InChIKey of [(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The InChIKey is HKWDGVKGEILICS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H15FN2O3/c21-14-6-3-5-13(11-14)16-12-17(15-7-1-2-8-18(15)24)23(22-16)20(25)19-9-4-10-26-19/h1-11,17,24H,12H2/t17-/m0/s1.
What are the key properties of [(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
[(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone has a molecular weight of 350.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 97310305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).