3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole

C15H12BrClN2 — CID 15628692

IUPAC3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2CC(c3ccc(Br)cc3)=NN2)cc1
InChIInChI=1S/C15H12BrClN2/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,15,19H,9H2
InChIKeyWXZZZWQTTHOGFE-UHFFFAOYSA-N
MW335.63 g/mol
LogP4.54
Rot. Bonds2

About 3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole

3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 15628692) has the molecular formula C15H12BrClN2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
PubChem CID15628692
Molecular FormulaC15H12BrClN2
Molecular Weight335.63 g/mol
Exact Mass333.99
IUPAC Name3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2CC(c3ccc(Br)cc3)=NN2)cc1
InChIInChI=1S/C15H12BrClN2/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,15,19H,9H2
InChIKeyWXZZZWQTTHOGFE-UHFFFAOYSA-N
XLogP4.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
CID 23583457
2-[(5S)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135674916
5-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylpyrimidin-2-amine
CID 139644356
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
(5R)-3,5-bis(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
CID 100816860
2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 959198
2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 4103570
2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135900294
(5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
CID 6933181
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
2-[(2R,6R)-2-(4-bromophenyl)-4-(4-chlorophenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-4-chlorophenol
CID 94485872
2-[2-(4-bromophenyl)-4-(4-chlorophenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-4-chlorophenol
CID 46374881

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole (CID 15628692) is 3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole is Clc1ccc(C2CC(c3ccc(Br)cc3)=NN2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is WXZZZWQTTHOGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,15,19H,9H2.
What are the key properties of 3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 335.63 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 15628692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).