4-iodo-3,5-dimethyl-1-tritylpyrazole

C24H21IN2 — CID 102228984

IUPAC4-iodo-3,5-dimethyl-1-tritylpyrazole
SMILESCc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1I
InChIInChI=1S/C24H21IN2/c1-18-23(25)19(2)27(26-18)24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1-2H3
InChIKeyKFEBPEDGIZRPIH-UHFFFAOYSA-N
MW464.35 g/mol
LogP5.94
Rot. Bonds4

About 4-iodo-3,5-dimethyl-1-tritylpyrazole

4-iodo-3,5-dimethyl-1-tritylpyrazole (PubChem CID 102228984) has the molecular formula C24H21IN2 and a molecular weight of 464.35 g/mol. Its IUPAC name is 4-iodo-3,5-dimethyl-1-tritylpyrazole.

Molecular Properties

Compound Name4-iodo-3,5-dimethyl-1-tritylpyrazole
PubChem CID102228984
Molecular FormulaC24H21IN2
Molecular Weight464.35 g/mol
Exact Mass464.07
IUPAC Name4-iodo-3,5-dimethyl-1-tritylpyrazole
SMILESCc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1I
InChIInChI=1S/C24H21IN2/c1-18-23(25)19(2)27(26-18)24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1-2H3
InChIKeyKFEBPEDGIZRPIH-UHFFFAOYSA-N
XLogP5.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.35
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-iodo-3,5-dimethyl-1-tritylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-iodo-4-methyl-1-tritylpyrazolo[4,3-c]pyridine
CID 161431757
3-methyl-4-oxido-1-tritylpyrazolo[3,4-b]pyrazin-4-ium
CID 155749912
5-iodo-2-trityl-1,2,4-triazole-3-carboxylic acid
CID 151203914
3-methyl-1-tritylpyrazole
CID 71182235
5-ethenoxy-3-methyl-1-tritylindazole
CID 129288156
5-(4-methylphenyl)-1-trityl-1,2,4-triazole
CID 22358185
5,6-dimethyl-2-tritylbenzotriazole
CID 3741441
4-iodo-1-tritylimidazole;palladium
CID 174711966
N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine
CID 19816139
4-iodo-3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 79785518
3-iodo-N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine
CID 135372917
5-methyl-3-tritylimidazole-4-carbaldehyde
CID 19860553

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3,5-dimethyl-1-tritylpyrazole?
The IUPAC name of 4-iodo-3,5-dimethyl-1-tritylpyrazole (CID 102228984) is 4-iodo-3,5-dimethyl-1-tritylpyrazole.
What is the SMILES notation for 4-iodo-3,5-dimethyl-1-tritylpyrazole?
The canonical SMILES for 4-iodo-3,5-dimethyl-1-tritylpyrazole is Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1I.
What is the InChIKey of 4-iodo-3,5-dimethyl-1-tritylpyrazole?
The InChIKey is KFEBPEDGIZRPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21IN2/c1-18-23(25)19(2)27(26-18)24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1-2H3.
What are the key properties of 4-iodo-3,5-dimethyl-1-tritylpyrazole?
4-iodo-3,5-dimethyl-1-tritylpyrazole has a molecular weight of 464.35 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3,5-dimethyl-1-tritylpyrazole is sourced from PubChem (CID 102228984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).