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

C26H24N4O2 — CID 172717363

IUPAC3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
SMILESCOc1ccc(C2=NNC(c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C26H24N4O2/c1-31-21-12-8-18(9-13-21)24-16-25(28-27-24)23-17-30(20-6-4-3-5-7-20)29-26(23)19-10-14-22(32-2)15-11-19/h3-15,17,25,28H,16H2,1-2H3
InChIKeyGAUJNXIJCFZLCW-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.00
Rot. Bonds6

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

3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole (PubChem CID 172717363) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
PubChem CID172717363
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
SMILESCOc1ccc(C2=NNC(c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C26H24N4O2/c1-31-21-12-8-18(9-13-21)24-16-25(28-27-24)23-17-30(20-6-4-3-5-7-20)29-26(23)19-10-14-22(32-2)15-11-19/h3-15,17,25,28H,16H2,1-2H3
InChIKeyGAUJNXIJCFZLCW-UHFFFAOYSA-N
XLogP5.00
TPSA60.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole (CID 172717363) is 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole is COc1ccc(C2=NNC(c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
The InChIKey is GAUJNXIJCFZLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-31-21-12-8-18(9-13-21)24-16-25(28-27-24)23-17-30(20-6-4-3-5-7-20)29-26(23)19-10-14-22(32-2)15-11-19/h3-15,17,25,28H,16H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole has a molecular weight of 424.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole is sourced from PubChem (CID 172717363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).