ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine

C11H15F3N4 — CID 165403161

IUPACethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine
SMILESCC.NCc1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C9H9F3N4.C2H6/c10-9(11,12)5-16-8-4-14-7(2-13)1-6(8)3-15-16;1-2/h1,3-4H,2,5,13H2;1-2H3
InChIKeyBBKUMGBLOMGLFY-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.48
Rot. Bonds2

About ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine

ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine (PubChem CID 165403161) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine.

Molecular Properties

Compound Nameethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine
PubChem CID165403161
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Nameethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine
SMILESCC.NCc1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C9H9F3N4.C2H6/c10-9(11,12)5-16-8-4-14-7(2-13)1-6(8)3-15-16;1-2/h1,3-4H,2,5,13H2;1-2H3
InChIKeyBBKUMGBLOMGLFY-UHFFFAOYSA-N
XLogP2.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
CID 71254055
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
7-Fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 134611927
N-(2-(2,5-difluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670693
N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine
CID 54673065
5-(1-methylpyrazol-4-yl)-3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 71253921
3-methyl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71512722
5-Fluoro-1-pyridin-3-ylindazole
CID 76286753
5-Fluoro-1-(5-fluoro-3-pyridinyl)indazole
CID 90252839

Frequently Asked Questions

What is the IUPAC name of ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine?
The IUPAC name of ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine (CID 165403161) is ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine.
What is the SMILES notation for ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine?
The canonical SMILES for ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine is CC.NCc1cc2cnn(CC(F)(F)F)c2cn1.
What is the InChIKey of ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine?
The InChIKey is BBKUMGBLOMGLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4.C2H6/c10-9(11,12)5-16-8-4-14-7(2-13)1-6(8)3-15-16;1-2/h1,3-4H,2,5,13H2;1-2H3.
What are the key properties of ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine?
ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine has a molecular weight of 260.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanamine is sourced from PubChem (CID 165403161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).