4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole

C31H25FN4O — CID 71600594

IUPAC4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C31H25FN4O/c1-37-27-18-14-23(15-19-27)31-28(21-35(34-31)25-8-4-2-5-9-25)30-20-29(22-12-16-24(32)17-13-22)33-36(30)26-10-6-3-7-11-26/h2-19,21,30H,20H2,1H3
InChIKeyPTUUETHCZWUWGI-UHFFFAOYSA-N
MW488.57 g/mol
LogP7.04
Rot. Bonds6

About 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole

4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole (PubChem CID 71600594) has the molecular formula C31H25FN4O and a molecular weight of 488.57 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole
PubChem CID71600594
Molecular FormulaC31H25FN4O
Molecular Weight488.57 g/mol
Exact Mass488.20
IUPAC Name4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C31H25FN4O/c1-37-27-18-14-23(15-19-27)31-28(21-35(34-31)25-8-4-2-5-9-25)30-20-29(22-12-16-24(32)17-13-22)33-36(30)26-10-6-3-7-11-26/h2-19,21,30H,20H2,1H3
InChIKeyPTUUETHCZWUWGI-UHFFFAOYSA-N
XLogP7.04
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole (CID 71600594) is 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole is COc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole?
The InChIKey is PTUUETHCZWUWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN4O/c1-37-27-18-14-23(15-19-27)31-28(21-35(34-31)25-8-4-2-5-9-25)30-20-29(22-12-16-24(32)17-13-22)33-36(30)26-10-6-3-7-11-26/h2-19,21,30H,20H2,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole?
4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole has a molecular weight of 488.57 g/mol, XLogP of 7.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole is sourced from PubChem (CID 71600594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).