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

C21H15BrClFN2 — CID 3143263

IUPAC3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
SMILESFc1ccccc1N1N=C(c2ccccc2Cl)CC1c1ccc(Br)cc1
InChIInChI=1S/C21H15BrClFN2/c22-15-11-9-14(10-12-15)21-13-19(16-5-1-2-6-17(16)23)25-26(21)20-8-4-3-7-18(20)24/h1-12,21H,13H2
InChIKeyOWQZUSSQAJOQAK-UHFFFAOYSA-N
MW429.72 g/mol
LogP6.60
Rot. Bonds3

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

3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole (PubChem CID 3143263) has the molecular formula C21H15BrClFN2 and a molecular weight of 429.72 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
PubChem CID3143263
Molecular FormulaC21H15BrClFN2
Molecular Weight429.72 g/mol
Exact Mass428.01
IUPAC Name3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
SMILESFc1ccccc1N1N=C(c2ccccc2Cl)CC1c1ccc(Br)cc1
InChIInChI=1S/C21H15BrClFN2/c22-15-11-9-14(10-12-15)21-13-19(16-5-1-2-6-17(16)23)25-26(21)20-8-4-3-7-18(20)24/h1-12,21H,13H2
InChIKeyOWQZUSSQAJOQAK-UHFFFAOYSA-N
XLogP6.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.72
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 7453348
3-(4-bromophenyl)-5-(3-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 3142860
3-(4-bromophenyl)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 46502754
2-[3-(4-bromophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136732265
(3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 7720074
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936
3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 164946045
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
(3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
CID 101464946
(3R)-2-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453212
1-[5-(2-chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 46029769

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole?
The IUPAC name of 3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole (CID 3143263) is 3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole is Fc1ccccc1N1N=C(c2ccccc2Cl)CC1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole?
The InChIKey is OWQZUSSQAJOQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrClFN2/c22-15-11-9-14(10-12-15)21-13-19(16-5-1-2-6-17(16)23)25-26(21)20-8-4-3-7-18(20)24/h1-12,21H,13H2.
What are the key properties of 3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole?
3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole has a molecular weight of 429.72 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 3143263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).