2-(1-tritylpyrazol-3-yl)benzaldehyde

C29H22N2O — CID 172553002

IUPAC2-(1-tritylpyrazol-3-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C29H22N2O/c32-22-23-12-10-11-19-27(23)28-20-21-31(30-28)29(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-22H
InChIKeyWIZHFWQQWLYPMM-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.20
Rot. Bonds6

About 2-(1-tritylpyrazol-3-yl)benzaldehyde

2-(1-tritylpyrazol-3-yl)benzaldehyde (PubChem CID 172553002) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(1-tritylpyrazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-(1-tritylpyrazol-3-yl)benzaldehyde
PubChem CID172553002
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC Name2-(1-tritylpyrazol-3-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C29H22N2O/c32-22-23-12-10-11-19-27(23)28-20-21-31(30-28)29(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-22H
InChIKeyWIZHFWQQWLYPMM-UHFFFAOYSA-N
XLogP6.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-tritylpyrazole
CID 71182235
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde
CID 121284429
(1-tritylpyrazol-3-yl)methanol
CID 14239709
2-(1-methylimidazol-4-yl)benzaldehyde
CID 123462698
4-methyl-1-tritylpyrazole-3-carbaldehyde
CID 91588623
2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]benzaldehyde
CID 87057717
3-(3-methoxyphenyl)-1-tritylpyrazole
CID 174775864
2-[7-(2-formylphenyl)-1,8-naphthyridin-2-yl]benzaldehyde
CID 156790373
2-methyl-2-[3-(2-methylsulfanylphenyl)pyrazol-1-yl]propanal
CID 142566202
2-[4-(1-tritylpyrazol-3-yl)phenyl]-1H-benzimidazole
CID 168554392
2-(2H-triazol-4-yl)benzaldehyde
CID 23332019

Frequently Asked Questions

What is the IUPAC name of 2-(1-tritylpyrazol-3-yl)benzaldehyde?
The IUPAC name of 2-(1-tritylpyrazol-3-yl)benzaldehyde (CID 172553002) is 2-(1-tritylpyrazol-3-yl)benzaldehyde.
What is the SMILES notation for 2-(1-tritylpyrazol-3-yl)benzaldehyde?
The canonical SMILES for 2-(1-tritylpyrazol-3-yl)benzaldehyde is O=Cc1ccccc1-c1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-(1-tritylpyrazol-3-yl)benzaldehyde?
The InChIKey is WIZHFWQQWLYPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O/c32-22-23-12-10-11-19-27(23)28-20-21-31(30-28)29(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-22H.
What are the key properties of 2-(1-tritylpyrazol-3-yl)benzaldehyde?
2-(1-tritylpyrazol-3-yl)benzaldehyde has a molecular weight of 414.51 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tritylpyrazol-3-yl)benzaldehyde is sourced from PubChem (CID 172553002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).