1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one

C12H10F3N3O — CID 112583755

IUPAC1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(-n2cc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C12H10F3N3O/c1-2-11(19)10-4-3-9(6-16-10)18-7-8(5-17-18)12(13,14)15/h3-7H,2H2,1H3
InChIKeyLGOLIWBTLFYTEQ-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.88
Rot. Bonds3

About 1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one

1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one (PubChem CID 112583755) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one
PubChem CID112583755
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(-n2cc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C12H10F3N3O/c1-2-11(19)10-4-3-9(6-16-10)18-7-8(5-17-18)12(13,14)15/h3-7H,2H2,1H3
InChIKeyLGOLIWBTLFYTEQ-UHFFFAOYSA-N
XLogP2.88
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide
CID 113321273
2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
CID 175751868
1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole
CID 130252820
N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine
CID 83128144
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662
4-nitro-1-(6-propanoyl-3-pyridinyl)pyrazole-3-carboxylic acid
CID 107347095
1-[1-(4-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 171484231
1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one
CID 117230412
1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one
CID 112583735
4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 115938928
2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol
CID 174706601
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-one
CID 115938932

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one (CID 112583755) is 1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(-n2cc(C(F)(F)F)cn2)cn1.
What is the InChIKey of 1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one?
The InChIKey is LGOLIWBTLFYTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-2-11(19)10-4-3-9(6-16-10)18-7-8(5-17-18)12(13,14)15/h3-7H,2H2,1H3.
What are the key properties of 1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one?
1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one has a molecular weight of 269.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 112583755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).