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

C13H12F3N3O — CID 137413391

IUPAC2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one
SMILESCC(C)C(=O)c1cnn(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C13H12F3N3O/c1-8(2)11(20)9-7-18-19(12(9)13(14,15)16)10-5-3-4-6-17-10/h3-8H,1-2H3
InChIKeyLEBJUOFLZIMWRU-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.12
Rot. Bonds3

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

2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one (PubChem CID 137413391) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one
PubChem CID137413391
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one
SMILESCC(C)C(=O)c1cnn(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C13H12F3N3O/c1-8(2)11(20)9-7-18-19(12(9)13(14,15)16)10-5-3-4-6-17-10/h3-8H,1-2H3
InChIKeyLEBJUOFLZIMWRU-UHFFFAOYSA-N
XLogP3.12
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39892892
N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31972467
2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 29078485
(4-benzylpiperazin-1-yl)-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 21105184
2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 66436390
5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 108793336
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31911009
N-[1-(2-fluorophenyl)propan-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86830130
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one
CID 132502686
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one (CID 137413391) is 2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one is CC(C)C(=O)c1cnn(-c2ccccn2)c1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one?
The InChIKey is LEBJUOFLZIMWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-8(2)11(20)9-7-18-19(12(9)13(14,15)16)10-5-3-4-6-17-10/h3-8H,1-2H3.
What are the key properties of 2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one?
2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one has a molecular weight of 283.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 137413391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).