5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde

C22H14Cl2N2O — CID 45258841

IUPAC5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)c(-c2c(Cl)cccc2Cl)nn1-c1ccccc1
InChIInChI=1S/C22H14Cl2N2O/c23-17-12-7-13-18(24)21(17)22-20(15-8-3-1-4-9-15)19(14-27)26(25-22)16-10-5-2-6-11-16/h1-14H
InChIKeyPUGANCPRZHTBKV-UHFFFAOYSA-N
MW393.27 g/mol
LogP6.33
Rot. Bonds4

About 5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde

5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde (PubChem CID 45258841) has the molecular formula C22H14Cl2N2O and a molecular weight of 393.27 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde
PubChem CID45258841
Molecular FormulaC22H14Cl2N2O
Molecular Weight393.27 g/mol
Exact Mass392.05
IUPAC Name5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)c(-c2c(Cl)cccc2Cl)nn1-c1ccccc1
InChIInChI=1S/C22H14Cl2N2O/c23-17-12-7-13-18(24)21(17)22-20(15-8-3-1-4-9-15)19(14-27)26(25-22)16-10-5-2-6-11-16/h1-14H
InChIKeyPUGANCPRZHTBKV-UHFFFAOYSA-N
XLogP6.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.27
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde 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

5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
CID 736659
5-bromo-3-(2,3-dichlorophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 87406923
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 86037887
5-(2,5-dichlorophenoxy)-1,3-diphenylpyrazole-4-carbaldehyde
CID 4268250
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4-(2-chloroacetyl)-3-methyl-1-phenylpyrazole-5-carbaldehyde
CID 174367620
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
5-chloro-3-methyl-1-phenylpyrazole;formyl chloride
CID 175273197
2-[(1,3,4-triphenylpyrazol-5-yl)iminomethyl]phenol
CID 3313085
3-(3-chlorophenyl)-2-(3-methylphenyl)-5-phenylimidazole-4-carbaldehyde
CID 177409490
5-chloro-4-[(E)-2-nitroethenyl]-1,3-diphenylpyrazole
CID 91927842

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde?
The IUPAC name of 5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde (CID 45258841) is 5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde?
The canonical SMILES for 5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde is O=Cc1c(-c2ccccc2)c(-c2c(Cl)cccc2Cl)nn1-c1ccccc1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde?
The InChIKey is PUGANCPRZHTBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O/c23-17-12-7-13-18(24)21(17)22-20(15-8-3-1-4-9-15)19(14-27)26(25-22)16-10-5-2-6-11-16/h1-14H.
What are the key properties of 5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde?
5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde has a molecular weight of 393.27 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde is sourced from PubChem (CID 45258841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).