1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole

C25H22Cl2N2 — CID 19587288

IUPAC1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
SMILESCc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3cc(Cl)ccc3Cl)n2)cc1C
InChIInChI=1S/C25H22Cl2N2/c1-15-5-7-19(11-17(15)3)23-14-24(20-8-6-16(2)18(4)12-20)29(28-23)25-13-21(26)9-10-22(25)27/h5-14H,1-4H3
InChIKeyJIRJICZTCVLNGT-UHFFFAOYSA-N
MW421.37 g/mol
LogP7.75
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole

1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole (PubChem CID 19587288) has the molecular formula C25H22Cl2N2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
PubChem CID19587288
Molecular FormulaC25H22Cl2N2
Molecular Weight421.37 g/mol
Exact Mass420.12
IUPAC Name1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
SMILESCc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3cc(Cl)ccc3Cl)n2)cc1C
InChIInChI=1S/C25H22Cl2N2/c1-15-5-7-19(11-17(15)3)23-14-24(20-8-6-16(2)18(4)12-20)29(28-23)25-13-21(26)9-10-22(25)27/h5-14H,1-4H3
InChIKeyJIRJICZTCVLNGT-UHFFFAOYSA-N
XLogP7.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.37
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole?
The IUPAC name of 1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole (CID 19587288) is 1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole is Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3cc(Cl)ccc3Cl)n2)cc1C.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole?
The InChIKey is JIRJICZTCVLNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2/c1-15-5-7-19(11-17(15)3)23-14-24(20-8-6-16(2)18(4)12-20)29(28-23)25-13-21(26)9-10-22(25)27/h5-14H,1-4H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole?
1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole has a molecular weight of 421.37 g/mol, XLogP of 7.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole is sourced from PubChem (CID 19587288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).