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

C25H22Cl2N2 — CID 19586926

IUPAC4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
SMILESCc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(C)c(C)c3)c2Cl)cc1C
InChIInChI=1S/C25H22Cl2N2/c1-15-9-11-19(13-17(15)3)24-23(27)25(20-12-10-16(2)18(4)14-20)29(28-24)22-8-6-5-7-21(22)26/h5-14H,1-4H3
InChIKeyYWRYSENNNVTHFI-UHFFFAOYSA-N
MW421.37 g/mol
LogP7.75
Rot. Bonds3

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

4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole (PubChem CID 19586926) has the molecular formula C25H22Cl2N2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
PubChem CID19586926
Molecular FormulaC25H22Cl2N2
Molecular Weight421.37 g/mol
Exact Mass420.12
IUPAC Name4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
SMILESCc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(C)c(C)c3)c2Cl)cc1C
InChIInChI=1S/C25H22Cl2N2/c1-15-9-11-19(13-17(15)3)24-23(27)25(20-12-10-16(2)18(4)14-20)29(28-24)22-8-6-5-7-21(22)26/h5-14H,1-4H3
InChIKeyYWRYSENNNVTHFI-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 4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole?
The IUPAC name of 4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole (CID 19586926) is 4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole.
What is the SMILES notation for 4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole?
The canonical SMILES for 4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole is Cc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(C)c(C)c3)c2Cl)cc1C.
What is the InChIKey of 4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole?
The InChIKey is YWRYSENNNVTHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2/c1-15-9-11-19(13-17(15)3)24-23(27)25(20-12-10-16(2)18(4)14-20)29(28-24)22-8-6-5-7-21(22)26/h5-14H,1-4H3.
What are the key properties of 4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole?
4-chloro-1-(2-chlorophenyl)-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 4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole is sourced from PubChem (CID 19586926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).