3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole

C27H24N4O — CID 140729613

IUPAC3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole
SMILESCc1nn(-c2cccc(Oc3cccc(-c4nccn4C)c3)c2)c(C)c1-c1ccccc1
InChIInChI=1S/C27H24N4O/c1-19-26(21-9-5-4-6-10-21)20(2)31(29-19)23-12-8-14-25(18-23)32-24-13-7-11-22(17-24)27-28-15-16-30(27)3/h4-18H,1-3H3
InChIKeyGIVPUUPFZKWFGL-UHFFFAOYSA-N
MW420.52 g/mol
LogP6.35
Rot. Bonds5

About 3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole

3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole (PubChem CID 140729613) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole
PubChem CID140729613
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole
SMILESCc1nn(-c2cccc(Oc3cccc(-c4nccn4C)c3)c2)c(C)c1-c1ccccc1
InChIInChI=1S/C27H24N4O/c1-19-26(21-9-5-4-6-10-21)20(2)31(29-19)23-12-8-14-25(18-23)32-24-13-7-11-22(17-24)27-28-15-16-30(27)3/h4-18H,1-3H3
InChIKeyGIVPUUPFZKWFGL-UHFFFAOYSA-N
XLogP6.35
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 153440759
2-[2-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]propan-2-yl]pyridine
CID 140715595
4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine
CID 140729544
2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine
CID 162285696
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-fluoro-2-pyridinyl)-6-phenylcarbazole
CID 153442105
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-ethyl-2-pyridinyl)-6-methylcarbazole
CID 153440713
6-butyl-9-(4-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 153441138
ethane;1-methyl-2-phenylimidazole
CID 142155183
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-hexyl-9-(4-pentyl-2-pyridinyl)carbazole
CID 153441368
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-ethylcarbazole
CID 153441318
9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-propylcarbazole
CID 153441096
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-propyl-2-pyridinyl)-6-(trideuteriomethyl)carbazole
CID 153441890

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole?
The IUPAC name of 3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole (CID 140729613) is 3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole is Cc1nn(-c2cccc(Oc3cccc(-c4nccn4C)c3)c2)c(C)c1-c1ccccc1.
What is the InChIKey of 3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole?
The InChIKey is GIVPUUPFZKWFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O/c1-19-26(21-9-5-4-6-10-21)20(2)31(29-19)23-12-8-14-25(18-23)32-24-13-7-11-22(17-24)27-28-15-16-30(27)3/h4-18H,1-3H3.
What are the key properties of 3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole?
3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole has a molecular weight of 420.52 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole is sourced from PubChem (CID 140729613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).