4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

C15H9ClF7N5 — CID 171789475

IUPAC4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(-n2nc(C(F)(F)F)c(-c3cc(Cl)cc(C(F)(F)F)c3)c2N)cc1F
InChIInChI=1S/C15H9ClF7N5/c1-27-9(17)5-10(25-27)28-13(24)11(12(26-28)15(21,22)23)6-2-7(14(18,19)20)4-8(16)3-6/h2-5H,24H2,1H3
InChIKeyFYFVFJSDGUTKPX-UHFFFAOYSA-N
MW427.71 g/mol
LogP4.69
Rot. Bonds2

About 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789475) has the molecular formula C15H9ClF7N5 and a molecular weight of 427.71 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789475
Molecular FormulaC15H9ClF7N5
Molecular Weight427.71 g/mol
Exact Mass427.04
IUPAC Name4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(-n2nc(C(F)(F)F)c(-c3cc(Cl)cc(C(F)(F)F)c3)c2N)cc1F
InChIInChI=1S/C15H9ClF7N5/c1-27-9(17)5-10(25-27)28-13(24)11(12(26-28)15(21,22)23)6-2-7(14(18,19)20)4-8(16)3-6/h2-5H,24H2,1H3
InChIKeyFYFVFJSDGUTKPX-UHFFFAOYSA-N
XLogP4.69
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.71
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 171789475) is 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is Cn1nc(-n2nc(C(F)(F)F)c(-c3cc(Cl)cc(C(F)(F)F)c3)c2N)cc1F.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is FYFVFJSDGUTKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF7N5/c1-27-9(17)5-10(25-27)28-13(24)11(12(26-28)15(21,22)23)6-2-7(14(18,19)20)4-8(16)3-6/h2-5H,24H2,1H3.
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 427.71 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-fluoro-1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).