3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine

C15H10BrClFN3 — CID 83204855

IUPAC3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2cccc(Cl)c2)nc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C15H10BrClFN3/c16-12-6-9(4-5-13(12)18)15-14(19)8-21(20-15)11-3-1-2-10(17)7-11/h1-8H,19H2
InChIKeyLQSOCKIHSZLBHB-UHFFFAOYSA-N
MW366.62 g/mol
LogP4.68
Rot. Bonds2

About 3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine

3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine (PubChem CID 83204855) has the molecular formula C15H10BrClFN3 and a molecular weight of 366.62 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine
PubChem CID83204855
Molecular FormulaC15H10BrClFN3
Molecular Weight366.62 g/mol
Exact Mass364.97
IUPAC Name3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2cccc(Cl)c2)nc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C15H10BrClFN3/c16-12-6-9(4-5-13(12)18)15-14(19)8-21(20-15)11-3-1-2-10(17)7-11/h1-8H,19H2
InChIKeyLQSOCKIHSZLBHB-UHFFFAOYSA-N
XLogP4.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.62
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine (CID 83204855) is 3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine is Nc1cn(-c2cccc(Cl)c2)nc1-c1ccc(F)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine?
The InChIKey is LQSOCKIHSZLBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN3/c16-12-6-9(4-5-13(12)18)15-14(19)8-21(20-15)11-3-1-2-10(17)7-11/h1-8H,19H2.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine?
3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine has a molecular weight of 366.62 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83204855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).