3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine

C15H10BrF2N3 — CID 83205248

IUPAC3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(F)cc2)nc1-c1cc(Br)ccc1F
InChIInChI=1S/C15H10BrF2N3/c16-9-1-6-13(18)12(7-9)15-14(19)8-21(20-15)11-4-2-10(17)3-5-11/h1-8H,19H2
InChIKeyUNBPSPNYEFLJIV-UHFFFAOYSA-N
MW350.17 g/mol
LogP4.16
Rot. Bonds2

About 3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine

3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine (PubChem CID 83205248) has the molecular formula C15H10BrF2N3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
PubChem CID83205248
Molecular FormulaC15H10BrF2N3
Molecular Weight350.17 g/mol
Exact Mass349.00
IUPAC Name3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(F)cc2)nc1-c1cc(Br)ccc1F
InChIInChI=1S/C15H10BrF2N3/c16-9-1-6-13(18)12(7-9)15-14(19)8-21(20-15)11-4-2-10(17)3-5-11/h1-8H,19H2
InChIKeyUNBPSPNYEFLJIV-UHFFFAOYSA-N
XLogP4.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine (CID 83205248) is 3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine is Nc1cn(-c2ccc(F)cc2)nc1-c1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine?
The InChIKey is UNBPSPNYEFLJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N3/c16-9-1-6-13(18)12(7-9)15-14(19)8-21(20-15)11-4-2-10(17)3-5-11/h1-8H,19H2.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine?
3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine has a molecular weight of 350.17 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83205248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).