1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone

C11H9F3N4O — CID 126498050

IUPAC1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2ccc(C(F)(F)F)nc2)c1N
InChIInChI=1S/C11H9F3N4O/c1-6(19)8-5-17-18(10(8)15)7-2-3-9(16-4-7)11(12,13)14/h2-5H,15H2,1H3
InChIKeyAGFIPEKBNMEUAR-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.07
Rot. Bonds2

About 1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone

1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone (PubChem CID 126498050) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone
PubChem CID126498050
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2ccc(C(F)(F)F)nc2)c1N
InChIInChI=1S/C11H9F3N4O/c1-6(19)8-5-17-18(10(8)15)7-2-3-9(16-4-7)11(12,13)14/h2-5H,15H2,1H3
InChIKeyAGFIPEKBNMEUAR-UHFFFAOYSA-N
XLogP2.07
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone
CID 126498048
5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-(trifluoromethyl)pyridine
CID 157464435
ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate
CID 67053258
5-amino-1-(4-tert-butylphenyl)pyrazole-4-carboxylic acid
CID 82089868
ethyl 5-amino-1-[4-[chloro(difluoro)methoxy]phenyl]pyrazole-4-carboxylate
CID 625309
acetic acid;6-(trifluoromethyl)pyridin-3-ol
CID 162333498
4-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
CID 146140419
1-(3-acetylphenyl)-5-aminopyrazole-4-carboxylic acid
CID 82365360
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 97036083
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone
CID 73012259

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone (CID 126498050) is 1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone is CC(=O)c1cnn(-c2ccc(C(F)(F)F)nc2)c1N.
What is the InChIKey of 1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone?
The InChIKey is AGFIPEKBNMEUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-6(19)8-5-17-18(10(8)15)7-2-3-9(16-4-7)11(12,13)14/h2-5H,15H2,1H3.
What are the key properties of 1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone?
1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone has a molecular weight of 270.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 126498050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).