4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline

C19H10BrClF3N3 — CID 11597637

IUPAC4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline
SMILESFC(F)(F)c1cc(-c2ccc(Br)cc2)nn1-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H10BrClF3N3/c20-12-3-1-11(2-4-12)15-10-18(19(22,23)24)27(26-15)17-7-8-25-16-9-13(21)5-6-14(16)17/h1-10H
InChIKeyUFSYSYDDBATPOT-UHFFFAOYSA-N
MW452.66 g/mol
LogP6.52
Rot. Bonds2

About 4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline

4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline (PubChem CID 11597637) has the molecular formula C19H10BrClF3N3 and a molecular weight of 452.66 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline
PubChem CID11597637
Molecular FormulaC19H10BrClF3N3
Molecular Weight452.66 g/mol
Exact Mass450.97
IUPAC Name4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline
SMILESFC(F)(F)c1cc(-c2ccc(Br)cc2)nn1-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H10BrClF3N3/c20-12-3-1-11(2-4-12)15-10-18(19(22,23)24)27(26-15)17-7-8-25-16-9-13(21)5-6-14(16)17/h1-10H
InChIKeyUFSYSYDDBATPOT-UHFFFAOYSA-N
XLogP6.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.66
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline?
The IUPAC name of 4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline (CID 11597637) is 4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline.
What is the SMILES notation for 4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline?
The canonical SMILES for 4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline is FC(F)(F)c1cc(-c2ccc(Br)cc2)nn1-c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline?
The InChIKey is UFSYSYDDBATPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrClF3N3/c20-12-3-1-11(2-4-12)15-10-18(19(22,23)24)27(26-15)17-7-8-25-16-9-13(21)5-6-14(16)17/h1-10H.
What are the key properties of 4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline?
4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline has a molecular weight of 452.66 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline is sourced from PubChem (CID 11597637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).