2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole

C20H17BrN2O — CID 171358324

IUPAC2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccco3)=NN2c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H17BrN2O/c1-14-4-6-15(7-5-14)19-13-18(20-3-2-12-24-20)22-23(19)17-10-8-16(21)9-11-17/h2-12,19H,13H2,1H3
InChIKeyNJMXVYSWKGZKGO-UHFFFAOYSA-N
MW381.27 g/mol
LogP5.71
Rot. Bonds3

About 2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole

2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole (PubChem CID 171358324) has the molecular formula C20H17BrN2O and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole
PubChem CID171358324
Molecular FormulaC20H17BrN2O
Molecular Weight381.27 g/mol
Exact Mass380.05
IUPAC Name2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccco3)=NN2c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H17BrN2O/c1-14-4-6-15(7-5-14)19-13-18(20-3-2-12-24-20)22-23(19)17-10-8-16(21)9-11-17/h2-12,19H,13H2,1H3
InChIKeyNJMXVYSWKGZKGO-UHFFFAOYSA-N
XLogP5.71
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole (CID 171358324) is 2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole is Cc1ccc(C2CC(c3ccco3)=NN2c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole?
The InChIKey is NJMXVYSWKGZKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O/c1-14-4-6-15(7-5-14)19-13-18(20-3-2-12-24-20)22-23(19)17-10-8-16(21)9-11-17/h2-12,19H,13H2,1H3.
What are the key properties of 2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole?
2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole has a molecular weight of 381.27 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 171358324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).