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

C23H14F3N3 — CID 15990604

IUPAC1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESFC(F)(F)c1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3ccccc3)c12
InChIInChI=1S/C23H14F3N3/c24-23(25,26)16-11-12-18-20(13-16)27-14-19-21(15-7-3-1-4-8-15)28-29(22(18)19)17-9-5-2-6-10-17/h1-14H
InChIKeyMUXPIFZMZNTBIR-UHFFFAOYSA-N
MW389.38 g/mol
LogP6.26
Rot. Bonds2

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

1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (PubChem CID 15990604) has the molecular formula C23H14F3N3 and a molecular weight of 389.38 g/mol. Its IUPAC name is 1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
PubChem CID15990604
Molecular FormulaC23H14F3N3
Molecular Weight389.38 g/mol
Exact Mass389.11
IUPAC Name1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESFC(F)(F)c1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3ccccc3)c12
InChIInChI=1S/C23H14F3N3/c24-23(25,26)16-11-12-18-20(13-16)27-14-19-21(15-7-3-1-4-8-15)28-29(22(18)19)17-9-5-2-6-10-17/h1-14H
InChIKeyMUXPIFZMZNTBIR-UHFFFAOYSA-N
XLogP6.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.38
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (CID 15990604) is 1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is FC(F)(F)c1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3ccccc3)c12.
What is the InChIKey of 1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The InChIKey is MUXPIFZMZNTBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3/c24-23(25,26)16-11-12-18-20(13-16)27-14-19-21(15-7-3-1-4-8-15)28-29(22(18)19)17-9-5-2-6-10-17/h1-14H.
What are the key properties of 1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline has a molecular weight of 389.38 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 15990604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).