4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole

C24H18BrFN4 — CID 70697008

IUPAC4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2C2=NNC(c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C24H18BrFN4/c25-18-10-6-16(7-11-18)22-14-23(28-27-22)21-15-30(20-4-2-1-3-5-20)29-24(21)17-8-12-19(26)13-9-17/h1-13,15,22,27H,14H2
InChIKeyKQYMWYKOFURJHF-UHFFFAOYSA-N
MW461.34 g/mol
LogP5.88
Rot. Bonds4

About 4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole

4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole (PubChem CID 70697008) has the molecular formula C24H18BrFN4 and a molecular weight of 461.34 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
PubChem CID70697008
Molecular FormulaC24H18BrFN4
Molecular Weight461.34 g/mol
Exact Mass460.07
IUPAC Name4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2C2=NNC(c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C24H18BrFN4/c25-18-10-6-16(7-11-18)22-14-23(28-27-22)21-15-30(20-4-2-1-3-5-20)29-24(21)17-8-12-19(26)13-9-17/h1-13,15,22,27H,14H2
InChIKeyKQYMWYKOFURJHF-UHFFFAOYSA-N
XLogP5.88
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.34
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole?
The IUPAC name of 4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole (CID 70697008) is 4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole.
What is the SMILES notation for 4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole?
The canonical SMILES for 4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole is Fc1ccc(-c2nn(-c3ccccc3)cc2C2=NNC(c3ccc(Br)cc3)C2)cc1.
What is the InChIKey of 4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole?
The InChIKey is KQYMWYKOFURJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrFN4/c25-18-10-6-16(7-11-18)22-14-23(28-27-22)21-15-30(20-4-2-1-3-5-20)29-24(21)17-8-12-19(26)13-9-17/h1-13,15,22,27H,14H2.
What are the key properties of 4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole?
4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole has a molecular weight of 461.34 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole is sourced from PubChem (CID 70697008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).