3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine

C15H11ClFN3 — CID 2742645

IUPAC3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H11ClFN3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKeyLTSQSXLNOUAASC-UHFFFAOYSA-N
MW287.73 g/mol
LogP3.91
Rot. Bonds2

About 3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine

3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine (PubChem CID 2742645) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine
PubChem CID2742645
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H11ClFN3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKeyLTSQSXLNOUAASC-UHFFFAOYSA-N
XLogP3.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine (CID 2742645) is 3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine is Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine?
The InChIKey is LTSQSXLNOUAASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2.
What are the key properties of 3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine?
3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine has a molecular weight of 287.73 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 2742645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).