3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine

C13H8F3N3O — CID 79194735

IUPAC3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccco2)nn1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H8F3N3O/c14-8-4-7(5-9(15)13(8)16)19-12(17)6-10(18-19)11-2-1-3-20-11/h1-6H,17H2
InChIKeyGPNFRBBJIRWKNF-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.13
Rot. Bonds2

About 3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine

3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine (PubChem CID 79194735) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine
PubChem CID79194735
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccco2)nn1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H8F3N3O/c14-8-4-7(5-9(15)13(8)16)19-12(17)6-10(18-19)11-2-1-3-20-11/h1-6H,17H2
InChIKeyGPNFRBBJIRWKNF-UHFFFAOYSA-N
XLogP3.13
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine?
The IUPAC name of 3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine (CID 79194735) is 3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine?
The canonical SMILES for 3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine is Nc1cc(-c2ccco2)nn1-c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine?
The InChIKey is GPNFRBBJIRWKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-8-4-7(5-9(15)13(8)16)19-12(17)6-10(18-19)11-2-1-3-20-11/h1-6H,17H2.
What are the key properties of 3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine?
3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine has a molecular weight of 279.22 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(3,4,5-trifluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 79194735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).