3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole

C20H17FN2O — CID 560998

IUPAC3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)o1
InChIInChI=1S/C20H17FN2O/c1-14-7-12-20(24-14)18-13-19(15-8-10-16(21)11-9-15)23(22-18)17-5-3-2-4-6-17/h2-12,19H,13H2,1H3
InChIKeyRMDQUIUVUKHTBO-UHFFFAOYSA-N
MW320.37 g/mol
LogP5.08
Rot. Bonds3

About 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole

3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 560998) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole
PubChem CID560998
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)o1
InChIInChI=1S/C20H17FN2O/c1-14-7-12-20(24-14)18-13-19(15-8-10-16(21)11-9-15)23(22-18)17-5-3-2-4-6-17/h2-12,19H,13H2,1H3
InChIKeyRMDQUIUVUKHTBO-UHFFFAOYSA-N
XLogP5.08
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.37
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole (CID 560998) is 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole is Cc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)o1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is RMDQUIUVUKHTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c1-14-7-12-20(24-14)18-13-19(15-8-10-16(21)11-9-15)23(22-18)17-5-3-2-4-6-17/h2-12,19H,13H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole?
3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 320.37 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 560998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).