[1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine

C11H8F5N3 — CID 70847705

IUPAC[1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
SMILESNCc1cc(C(F)(F)F)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H8F5N3/c12-8-2-1-6(3-9(8)13)19-7(5-17)4-10(18-19)11(14,15)16/h1-4H,5,17H2
InChIKeyGHXVNUGKGIHAAS-UHFFFAOYSA-N
MW277.20 g/mol
LogP2.63
Rot. Bonds2

About [1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine

[1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine (PubChem CID 70847705) has the molecular formula C11H8F5N3 and a molecular weight of 277.20 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
PubChem CID70847705
Molecular FormulaC11H8F5N3
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Name[1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
SMILESNCc1cc(C(F)(F)F)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H8F5N3/c12-8-2-1-6(3-9(8)13)19-7(5-17)4-10(18-19)11(14,15)16/h1-4H,5,17H2
InChIKeyGHXVNUGKGIHAAS-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine?
The IUPAC name of [1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine (CID 70847705) is [1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine.
What is the SMILES notation for [1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine?
The canonical SMILES for [1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine is NCc1cc(C(F)(F)F)nn1-c1ccc(F)c(F)c1.
What is the InChIKey of [1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine?
The InChIKey is GHXVNUGKGIHAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5N3/c12-8-2-1-6(3-9(8)13)19-7(5-17)4-10(18-19)11(14,15)16/h1-4H,5,17H2.
What are the key properties of [1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine?
[1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine has a molecular weight of 277.20 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine is sourced from PubChem (CID 70847705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).