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

C26H26N4O2 — CID 14531319

IUPAC5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2CC(c3cccc(C4=NNC(c5ccc(OC)cc5)C4)c3)=NN2)cc1
InChIInChI=1S/C26H26N4O2/c1-31-21-10-6-17(7-11-21)23-15-25(29-27-23)19-4-3-5-20(14-19)26-16-24(28-30-26)18-8-12-22(32-2)13-9-18/h3-14,23-24,27-28H,15-16H2,1-2H3
InChIKeyHMIPKQSSGQXXKI-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.58
Rot. Bonds6

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

5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole (PubChem CID 14531319) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole
PubChem CID14531319
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2CC(c3cccc(C4=NNC(c5ccc(OC)cc5)C4)c3)=NN2)cc1
InChIInChI=1S/C26H26N4O2/c1-31-21-10-6-17(7-11-21)23-15-25(29-27-23)19-4-3-5-20(14-19)26-16-24(28-30-26)18-8-12-22(32-2)13-9-18/h3-14,23-24,27-28H,15-16H2,1-2H3
InChIKeyHMIPKQSSGQXXKI-UHFFFAOYSA-N
XLogP4.58
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 4738355
4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 71493357
N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
CID 10629350
(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 40741628
2-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 136670257
5-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-4,5-dihydro-1H-pyrazole
CID 67765708
4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
CID 10527153
5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole
CID 3415879
5-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742270
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
CID 23583457
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
CID 172717363

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole (CID 14531319) is 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole is COc1ccc(C2CC(c3cccc(C4=NNC(c5ccc(OC)cc5)C4)c3)=NN2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole?
The InChIKey is HMIPKQSSGQXXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-31-21-10-6-17(7-11-21)23-15-25(29-27-23)19-4-3-5-20(14-19)26-16-24(28-30-26)18-8-12-22(32-2)13-9-18/h3-14,23-24,27-28H,15-16H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole?
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole has a molecular weight of 426.52 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 14531319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).