4-methyl-1-tritylpyrazole-3-carbaldehyde

C24H20N2O — CID 91588623

IUPAC4-methyl-1-tritylpyrazole-3-carbaldehyde
SMILESCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc1C=O
InChIInChI=1S/C24H20N2O/c1-19-17-26(25-23(19)18-27)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
InChIKeyKFCXGNSGKXWUCA-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.84
Rot. Bonds5

About 4-methyl-1-tritylpyrazole-3-carbaldehyde

4-methyl-1-tritylpyrazole-3-carbaldehyde (PubChem CID 91588623) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-methyl-1-tritylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1-tritylpyrazole-3-carbaldehyde
PubChem CID91588623
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name4-methyl-1-tritylpyrazole-3-carbaldehyde
SMILESCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc1C=O
InChIInChI=1S/C24H20N2O/c1-19-17-26(25-23(19)18-27)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
InChIKeyKFCXGNSGKXWUCA-UHFFFAOYSA-N
XLogP4.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.84
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
5-methyl-3-tritylimidazole-4-carbaldehyde
CID 19860553
2-(1-tritylpyrazol-3-yl)benzaldehyde
CID 172553002
5,6-dimethyl-2-tritylbenzotriazole
CID 3741441
4-methyl-1-propylpyrazole-3-carbaldehyde
CID 139675050
4-bromo-3-(2,6-difluorophenyl)-1-tritylpyrazole
CID 22032496
2-(1-tritylimidazol-4-yl)acetaldehyde
CID 22254261
4-bromo-1-tritylimidazole-2-carbaldehyde
CID 86247220
(4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane
CID 173248895
1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde
CID 86662721
3-(3-methyl-2,5-dihydropyrrol-1-yl)-1-tritylpyrazole
CID 126655655
2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
CID 146591462

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-tritylpyrazole-3-carbaldehyde?
The IUPAC name of 4-methyl-1-tritylpyrazole-3-carbaldehyde (CID 91588623) is 4-methyl-1-tritylpyrazole-3-carbaldehyde.
What is the SMILES notation for 4-methyl-1-tritylpyrazole-3-carbaldehyde?
The canonical SMILES for 4-methyl-1-tritylpyrazole-3-carbaldehyde is Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc1C=O.
What is the InChIKey of 4-methyl-1-tritylpyrazole-3-carbaldehyde?
The InChIKey is KFCXGNSGKXWUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-19-17-26(25-23(19)18-27)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3.
What are the key properties of 4-methyl-1-tritylpyrazole-3-carbaldehyde?
4-methyl-1-tritylpyrazole-3-carbaldehyde has a molecular weight of 352.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-tritylpyrazole-3-carbaldehyde is sourced from PubChem (CID 91588623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).