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

C25H23ClN2 — CID 19587253

IUPAC1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
SMILESCc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3ccc(Cl)cc3)n2)cc1C
InChIInChI=1S/C25H23ClN2/c1-16-5-7-20(13-18(16)3)24-15-25(21-8-6-17(2)19(4)14-21)28(27-24)23-11-9-22(26)10-12-23/h5-15H,1-4H3
InChIKeyVIMMFFRMLCDFHC-UHFFFAOYSA-N
MW386.93 g/mol
LogP7.09
Rot. Bonds3

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

1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole (PubChem CID 19587253) has the molecular formula C25H23ClN2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
PubChem CID19587253
Molecular FormulaC25H23ClN2
Molecular Weight386.93 g/mol
Exact Mass386.15
IUPAC Name1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
SMILESCc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3ccc(Cl)cc3)n2)cc1C
InChIInChI=1S/C25H23ClN2/c1-16-5-7-20(13-18(16)3)24-15-25(21-8-6-17(2)19(4)14-21)28(27-24)23-11-9-22(26)10-12-23/h5-15H,1-4H3
InChIKeyVIMMFFRMLCDFHC-UHFFFAOYSA-N
XLogP7.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.93
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole?
The IUPAC name of 1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole (CID 19587253) is 1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole is Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3ccc(Cl)cc3)n2)cc1C.
What is the InChIKey of 1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole?
The InChIKey is VIMMFFRMLCDFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2/c1-16-5-7-20(13-18(16)3)24-15-25(21-8-6-17(2)19(4)14-21)28(27-24)23-11-9-22(26)10-12-23/h5-15H,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole?
1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole has a molecular weight of 386.93 g/mol, XLogP of 7.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole is sourced from PubChem (CID 19587253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).