1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline

C26H20F3N3 — CID 20852585

IUPAC1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C26H20F3N3/c1-15-4-7-18(8-5-15)24-22-14-30-23-13-19(26(27,28)29)9-11-21(23)25(22)32(31-24)20-10-6-16(2)17(3)12-20/h4-14H,1-3H3
InChIKeyDUCZRGSVIVTJBP-UHFFFAOYSA-N
MW431.46 g/mol
LogP7.18
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline

1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852585) has the molecular formula C26H20F3N3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
PubChem CID20852585
Molecular FormulaC26H20F3N3
Molecular Weight431.46 g/mol
Exact Mass431.16
IUPAC Name1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C26H20F3N3/c1-15-4-7-18(8-5-15)24-22-14-30-23-13-19(26(27,28)29)9-11-21(23)25(22)32(31-24)20-10-6-16(2)17(3)12-20/h4-14H,1-3H3
InChIKeyDUCZRGSVIVTJBP-UHFFFAOYSA-N
XLogP7.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (CID 20852585) is 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The InChIKey is DUCZRGSVIVTJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3/c1-15-4-7-18(8-5-15)24-22-14-30-23-13-19(26(27,28)29)9-11-21(23)25(22)32(31-24)20-10-6-16(2)17(3)12-20/h4-14H,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline has a molecular weight of 431.46 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).