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

C28H26N4O2 — CID 118529653

IUPAC5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole
SMILESCOc1ccc(-c2[nH]nc(-c3cccc(-c4n[nH]c(-c5ccc(OC)cc5)c4C)c3)c2C)cc1
InChIInChI=1S/C28H26N4O2/c1-17-25(19-8-12-23(33-3)13-9-19)29-31-27(17)21-6-5-7-22(16-21)28-18(2)26(30-32-28)20-10-14-24(34-4)15-11-20/h5-16H,1-4H3,(H,29,31)(H,30,32)
InChIKeyRAEFFRXJRFHUKE-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.43
Rot. Bonds6

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

5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole (PubChem CID 118529653) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole
PubChem CID118529653
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole
SMILESCOc1ccc(-c2[nH]nc(-c3cccc(-c4n[nH]c(-c5ccc(OC)cc5)c4C)c3)c2C)cc1
InChIInChI=1S/C28H26N4O2/c1-17-25(19-8-12-23(33-3)13-9-19)29-31-27(17)21-6-5-7-22(16-21)28-18(2)26(30-32-28)20-10-14-24(34-4)15-11-20/h5-16H,1-4H3,(H,29,31)(H,30,32)
InChIKeyRAEFFRXJRFHUKE-UHFFFAOYSA-N
XLogP6.43
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
CID 19587640
5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole
CID 132505617
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529375
[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate
CID 141386587
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3705848
4-(4-methoxyphenyl)-6-(3-methylphenyl)pyrimidine
CID 118912795
4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole
CID 141358223
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole (CID 118529653) is 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole is COc1ccc(-c2[nH]nc(-c3cccc(-c4n[nH]c(-c5ccc(OC)cc5)c4C)c3)c2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole?
The InChIKey is RAEFFRXJRFHUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-17-25(19-8-12-23(33-3)13-9-19)29-31-27(17)21-6-5-7-22(16-21)28-18(2)26(30-32-28)20-10-14-24(34-4)15-11-20/h5-16H,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole?
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole has a molecular weight of 450.54 g/mol, XLogP of 6.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole is sourced from PubChem (CID 118529653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).