5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole

C23H20ClFN2O2 — CID 2883138

IUPAC5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccccc2F)cc1OC
InChIInChI=1S/C23H20ClFN2O2/c1-28-22-12-9-16(13-23(22)29-2)21-14-19(15-7-10-17(24)11-8-15)26-27(21)20-6-4-3-5-18(20)25/h3-13,21H,14H2,1-2H3
InChIKeyUOANMYHLZNCCKC-UHFFFAOYSA-N
MW410.88 g/mol
LogP5.85
Rot. Bonds5

About 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole

5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole (PubChem CID 2883138) has the molecular formula C23H20ClFN2O2 and a molecular weight of 410.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
PubChem CID2883138
Molecular FormulaC23H20ClFN2O2
Molecular Weight410.88 g/mol
Exact Mass410.12
IUPAC Name5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccccc2F)cc1OC
InChIInChI=1S/C23H20ClFN2O2/c1-28-22-12-9-16(13-23(22)29-2)21-14-19(15-7-10-17(24)11-8-15)26-27(21)20-6-4-3-5-18(20)25/h3-13,21H,14H2,1-2H3
InChIKeyUOANMYHLZNCCKC-UHFFFAOYSA-N
XLogP5.85
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.88
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole (CID 2883138) is 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole is COc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccccc2F)cc1OC.
What is the InChIKey of 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole?
The InChIKey is UOANMYHLZNCCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O2/c1-28-22-12-9-16(13-23(22)29-2)21-14-19(15-7-10-17(24)11-8-15)26-27(21)20-6-4-3-5-18(20)25/h3-13,21H,14H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole?
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole has a molecular weight of 410.88 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 2883138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).