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

C15H13BrN2 — CID 43147995

IUPAC5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
SMILESBrc1ccc(C2CC(c3ccccc3)=NN2)cc1
InChIInChI=1S/C15H13BrN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-9,15,18H,10H2
InChIKeyWKFDONFQSHBPJL-UHFFFAOYSA-N
MW301.19 g/mol
LogP3.89
Rot. Bonds2

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

5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole (PubChem CID 43147995) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
PubChem CID43147995
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
SMILESBrc1ccc(C2CC(c3ccccc3)=NN2)cc1
InChIInChI=1S/C15H13BrN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-9,15,18H,10H2
InChIKeyWKFDONFQSHBPJL-UHFFFAOYSA-N
XLogP3.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole (CID 43147995) is 5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole is Brc1ccc(C2CC(c3ccccc3)=NN2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The InChIKey is WKFDONFQSHBPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-9,15,18H,10H2.
What are the key properties of 5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole has a molecular weight of 301.19 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 43147995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).