4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole

C23H17Cl3N2 — CID 19587233

IUPAC4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole
SMILESCc1cccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3cccc(C)c3)c2Cl)c1
InChIInChI=1S/C23H17Cl3N2/c1-14-5-3-7-16(11-14)22-21(26)23(17-8-4-6-15(2)12-17)28(27-22)18-9-10-19(24)20(25)13-18/h3-13H,1-2H3
InChIKeyPNRHVHXYFSNKCJ-UHFFFAOYSA-N
MW427.76 g/mol
LogP7.78
Rot. Bonds3

About 4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole

4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole (PubChem CID 19587233) has the molecular formula C23H17Cl3N2 and a molecular weight of 427.76 g/mol. Its IUPAC name is 4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole
PubChem CID19587233
Molecular FormulaC23H17Cl3N2
Molecular Weight427.76 g/mol
Exact Mass426.05
IUPAC Name4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole
SMILESCc1cccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3cccc(C)c3)c2Cl)c1
InChIInChI=1S/C23H17Cl3N2/c1-14-5-3-7-16(11-14)22-21(26)23(17-8-4-6-15(2)12-17)28(27-22)18-9-10-19(24)20(25)13-18/h3-13H,1-2H3
InChIKeyPNRHVHXYFSNKCJ-UHFFFAOYSA-N
XLogP7.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.76
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole 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

4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole
CID 19587079
4-chloro-1-(3-chloro-4-methylphenyl)-3,5-bis(3,4-dichlorophenyl)pyrazole
CID 17025515
1-(3,4-dichlorophenyl)-3-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3663958
4-chloro-1-(3-chloro-4-methylphenyl)-3,5-bis(4-fluorophenyl)pyrazole
CID 19587540
10-(3,4-dichlorophenyl)-4-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 3377066
4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine
CID 83910681
4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole
CID 19587037
1-(3-chloro-4-methylphenyl)-3,5-bis(3-methylphenyl)pyrazole
CID 19587265
4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19586926
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine
CID 83205233
2-[4-chloro-3,5-bis(3-methylphenyl)pyrazol-1-yl]-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
CID 19586497
4-chloro-2-methyl-5-(3-methylphenyl)pyrazole-3-carbaldehyde
CID 83911945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole?
The IUPAC name of 4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole (CID 19587233) is 4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole.
What is the SMILES notation for 4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole?
The canonical SMILES for 4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole is Cc1cccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3cccc(C)c3)c2Cl)c1.
What is the InChIKey of 4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole?
The InChIKey is PNRHVHXYFSNKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N2/c1-14-5-3-7-16(11-14)22-21(26)23(17-8-4-6-15(2)12-17)28(27-22)18-9-10-19(24)20(25)13-18/h3-13H,1-2H3.
What are the key properties of 4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole?
4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole has a molecular weight of 427.76 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole is sourced from PubChem (CID 19587233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).