5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine

C12H8F3N3O — CID 115110001

IUPAC5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3c(C(F)(F)F)cccc3o2)[nH]n1
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)7-2-1-3-9-6(7)4-10(19-9)8-5-11(16)18-17-8/h1-5H,(H3,16,17,18)
InChIKeyXLUYFNGRDJSHHG-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.42
Rot. Bonds1

About 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine

5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine (PubChem CID 115110001) has the molecular formula C12H8F3N3O and a molecular weight of 267.21 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine
PubChem CID115110001
Molecular FormulaC12H8F3N3O
Molecular Weight267.21 g/mol
Exact Mass267.06
IUPAC Name5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3c(C(F)(F)F)cccc3o2)[nH]n1
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)7-2-1-3-9-6(7)4-10(19-9)8-5-11(16)18-17-8/h1-5H,(H3,16,17,18)
InChIKeyXLUYFNGRDJSHHG-UHFFFAOYSA-N
XLogP3.42
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol
CID 136986546
5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine
CID 115110035
5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine
CID 115113707
2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid
CID 115113980
5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine
CID 136985546
2-methyl-4-(trifluoromethyl)-1-benzofuran
CID 175846735
5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 117364136
5-(5-bromofuran-2-yl)-1H-pyrazol-3-amine
CID 24702930
5-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]-1H-pyrazol-3-amine
CID 117482126
5-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-1H-pyrazol-3-amine
CID 117459208
5-[7-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazole-3-carboxylic acid
CID 115109779
3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine
CID 136985669

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine (CID 115110001) is 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine is Nc1cc(-c2cc3c(C(F)(F)F)cccc3o2)[nH]n1.
What is the InChIKey of 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine?
The InChIKey is XLUYFNGRDJSHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O/c13-12(14,15)7-2-1-3-9-6(7)4-10(19-9)8-5-11(16)18-17-8/h1-5H,(H3,16,17,18).
What are the key properties of 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine?
5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine has a molecular weight of 267.21 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 115110001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).