3-(3-methoxyphenyl)-1-tritylpyrazole

C29H24N2O — CID 174775864

IUPAC3-(3-methoxyphenyl)-1-tritylpyrazole
SMILESCOc1cccc(-c2ccn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1
InChIInChI=1S/C29H24N2O/c1-32-27-19-11-12-23(22-27)28-20-21-31(30-28)29(24-13-5-2-6-14-24,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-22H,1H3
InChIKeyCEUHEXKQBXYUJH-UHFFFAOYSA-N
MW416.52 g/mol
LogP6.40
Rot. Bonds6

About 3-(3-methoxyphenyl)-1-tritylpyrazole

3-(3-methoxyphenyl)-1-tritylpyrazole (PubChem CID 174775864) has the molecular formula C29H24N2O and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-tritylpyrazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-tritylpyrazole
PubChem CID174775864
Molecular FormulaC29H24N2O
Molecular Weight416.52 g/mol
Exact Mass416.19
IUPAC Name3-(3-methoxyphenyl)-1-tritylpyrazole
SMILESCOc1cccc(-c2ccn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1
InChIInChI=1S/C29H24N2O/c1-32-27-19-11-12-23(22-27)28-20-21-31(30-28)29(24-13-5-2-6-14-24,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-22H,1H3
InChIKeyCEUHEXKQBXYUJH-UHFFFAOYSA-N
XLogP6.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-(3-ethoxyphenyl)pyrazole
CID 174113162
3-benzylsulfanyl-6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531675
[2-(3-methoxyphenyl)phenyl]-diphenylmethanol
CID 11710362
2-(3-methoxyphenyl)-N,N-dimethylpyrazolo[1,5-a]pyrazin-4-amine
CID 91886949
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 18668662
4-(3-methoxyphenyl)-6-methylpyrimidine
CID 58973518
5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1288372
6-(3-methoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-2-amine
CID 143879206
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 139389914
1-[2-(3-methoxyphenyl)phenyl]imidazole
CID 57072963

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-tritylpyrazole?
The IUPAC name of 3-(3-methoxyphenyl)-1-tritylpyrazole (CID 174775864) is 3-(3-methoxyphenyl)-1-tritylpyrazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-tritylpyrazole?
The canonical SMILES for 3-(3-methoxyphenyl)-1-tritylpyrazole is COc1cccc(-c2ccn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-tritylpyrazole?
The InChIKey is CEUHEXKQBXYUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O/c1-32-27-19-11-12-23(22-27)28-20-21-31(30-28)29(24-13-5-2-6-14-24,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-22H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-1-tritylpyrazole?
3-(3-methoxyphenyl)-1-tritylpyrazole has a molecular weight of 416.52 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-tritylpyrazole is sourced from PubChem (CID 174775864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).