4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one

C12H10F3N3O — CID 58270511

IUPAC4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one
SMILESO=C(CCC(F)(F)F)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)4-3-11(19)9-6-17-18(8-9)10-2-1-5-16-7-10/h1-2,5-8H,3-4H2
InChIKeyPOMPUVZXOUPRGC-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.79
Rot. Bonds4

About 4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one

4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one (PubChem CID 58270511) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one
PubChem CID58270511
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one
SMILESO=C(CCC(F)(F)F)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)4-3-11(19)9-6-17-18(8-9)10-2-1-5-16-7-10/h1-2,5-8H,3-4H2
InChIKeyPOMPUVZXOUPRGC-UHFFFAOYSA-N
XLogP2.79
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methyl-5-(trifluoromethyl)pyridin-3-yl)-1-(1-oxo-1,2-dihydroisoquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazol-4-carboxamide
CID 156601131
1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 822987
1-Pyridin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 58374142
1-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 43543033
1-(Pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 54593067
5-(1H-Pyrazol-1-yl)pyridine-3-carbaldehyde
CID 116062749
1-[5-Methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone
CID 2805898
1-Ethyl-3-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-carboxamide
CID 3491502
5-methyl-1-phenyl-N-(pyridin-3-yl)-1H-pyrazole-4-carboxamide
CID 17464539
1-Phenyl-N-[(pyridin-2-YL)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 24711977
5-[3,5-dimethyl-4-(2-oxopropyl)-1H-pyrazol-1-yl]nicotinamide
CID 50962113
5-(4-methyl-1H-pyrazol-1-yl)nicotinamide
CID 50968606

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one (CID 58270511) is 4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one is O=C(CCC(F)(F)F)c1cnn(-c2cccnc2)c1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one?
The InChIKey is POMPUVZXOUPRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)4-3-11(19)9-6-17-18(8-9)10-2-1-5-16-7-10/h1-2,5-8H,3-4H2.
What are the key properties of 4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one?
4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one has a molecular weight of 269.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-pyridin-3-ylpyrazol-4-yl)butan-1-one is sourced from PubChem (CID 58270511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).