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

C21H14Cl3FN2 — CID 3091732

IUPAC3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
SMILESFc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H14Cl3FN2/c22-15-5-1-14(2-6-15)21-12-20(13-3-7-16(25)8-4-13)26-27(21)17-9-10-18(23)19(24)11-17/h1-11,21H,12H2
InChIKeyWBILFEIFVBKKDV-UHFFFAOYSA-N
MW419.71 g/mol
LogP7.14
Rot. Bonds3

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

3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole (PubChem CID 3091732) has the molecular formula C21H14Cl3FN2 and a molecular weight of 419.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
PubChem CID3091732
Molecular FormulaC21H14Cl3FN2
Molecular Weight419.71 g/mol
Exact Mass418.02
IUPAC Name3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
SMILESFc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H14Cl3FN2/c22-15-5-1-14(2-6-15)21-12-20(13-3-7-16(25)8-4-13)26-27(21)17-9-10-18(23)19(24)11-17/h1-11,21H,12H2
InChIKeyWBILFEIFVBKKDV-UHFFFAOYSA-N
XLogP7.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.71
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7482196
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936
5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142864
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804
(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
CID 26723226
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
4-[(3R)-2-(3-chloro-4-cyanophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46915203
(3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 26464811
(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7215001
(3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331673
(3R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331674
(3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7104195

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole?
The IUPAC name of 3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole (CID 3091732) is 3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole is Fc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole?
The InChIKey is WBILFEIFVBKKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3FN2/c22-15-5-1-14(2-6-15)21-12-20(13-3-7-16(25)8-4-13)26-27(21)17-9-10-18(23)19(24)11-17/h1-11,21H,12H2.
What are the key properties of 3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole?
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole has a molecular weight of 419.71 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 3091732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).