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

C21H16ClFN2 — CID 3142841

IUPAC2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
SMILESFc1ccccc1C1CC(c2ccccc2)=NN1c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClFN2/c22-16-10-12-17(13-11-16)25-21(18-8-4-5-9-19(18)23)14-20(24-25)15-6-2-1-3-7-15/h1-13,21H,14H2
InChIKeyYFNBEHDKDCKYKO-UHFFFAOYSA-N
MW350.82 g/mol
LogP5.83
Rot. Bonds3

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

2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole (PubChem CID 3142841) has the molecular formula C21H16ClFN2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
PubChem CID3142841
Molecular FormulaC21H16ClFN2
Molecular Weight350.82 g/mol
Exact Mass350.10
IUPAC Name2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
SMILESFc1ccccc1C1CC(c2ccccc2)=NN1c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClFN2/c22-16-10-12-17(13-11-16)25-21(18-8-4-5-9-19(18)23)14-20(24-25)15-6-2-1-3-7-15/h1-13,21H,14H2
InChIKeyYFNBEHDKDCKYKO-UHFFFAOYSA-N
XLogP5.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.82
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 7720074
[2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072730
4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 16832268
2-[5-(4-bromophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 4320040
2-[(3R)-5-(4-bromophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 98121629
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 159537183
2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142858
(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7392937
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936
2-[3-(2-bromophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136732263

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole (CID 3142841) is 2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole is Fc1ccccc1C1CC(c2ccccc2)=NN1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole?
The InChIKey is YFNBEHDKDCKYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2/c22-16-10-12-17(13-11-16)25-21(18-8-4-5-9-19(18)23)14-20(24-25)15-6-2-1-3-7-15/h1-13,21H,14H2.
What are the key properties of 2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole?
2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole has a molecular weight of 350.82 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 3142841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).