(3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole

C21H15BrF2N2 — CID 7127302

IUPAC(3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole
SMILESFc1ccc(C2=NN(c3ccccc3Br)[C@@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H15BrF2N2/c22-18-3-1-2-4-20(18)26-21(15-7-11-17(24)12-8-15)13-19(25-26)14-5-9-16(23)10-6-14/h1-12,21H,13H2/t21-/m1/s1
InChIKeyGNVRHFSSIOAAAL-OAQYLSRUSA-N
MW413.27 g/mol
LogP6.08
Rot. Bonds3

About (3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole

(3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole (PubChem CID 7127302) has the molecular formula C21H15BrF2N2 and a molecular weight of 413.27 g/mol. Its IUPAC name is (3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole
PubChem CID7127302
Molecular FormulaC21H15BrF2N2
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name(3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole
SMILESFc1ccc(C2=NN(c3ccccc3Br)[C@@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H15BrF2N2/c22-18-3-1-2-4-20(18)26-21(15-7-11-17(24)12-8-15)13-19(25-26)14-5-9-16(23)10-6-14/h1-12,21H,13H2/t21-/m1/s1
InChIKeyGNVRHFSSIOAAAL-OAQYLSRUSA-N
XLogP6.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.27
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole
CID 3422586
(3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 7453348
2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 11835945
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936
3-(4-bromophenyl)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 46502754
4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46914885
(3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 7209562
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
4-[(3S)-2-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]benzonitrile
CID 102391374
3-(4-bromophenyl)-5-(3-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 3142860
3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 134613023

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole?
The IUPAC name of (3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole (CID 7127302) is (3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for (3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole is Fc1ccc(C2=NN(c3ccccc3Br)[C@@H](c3ccc(F)cc3)C2)cc1.
What is the InChIKey of (3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole?
The InChIKey is GNVRHFSSIOAAAL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H15BrF2N2/c22-18-3-1-2-4-20(18)26-21(15-7-11-17(24)12-8-15)13-19(25-26)14-5-9-16(23)10-6-14/h1-12,21H,13H2/t21-/m1/s1.
What are the key properties of (3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole?
(3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole has a molecular weight of 413.27 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 7127302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).