2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide

C12H11F3N4O — CID 3236806

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1cccnc1
InChIInChI=1S/C12H11F3N4O/c1-8-5-10(12(13,14)15)18-19(8)7-11(20)17-9-3-2-4-16-6-9/h2-6H,7H2,1H3,(H,17,20)
InChIKeyZSBLVYQWWDSOFT-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.24
Rot. Bonds3

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 3236806) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide
PubChem CID3236806
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1cccnc1
InChIInChI=1S/C12H11F3N4O/c1-8-5-10(12(13,14)15)18-19(8)7-11(20)17-9-3-2-4-16-6-9/h2-6H,7H2,1H3,(H,17,20)
InChIKeyZSBLVYQWWDSOFT-UHFFFAOYSA-N
XLogP2.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 1259244
2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
CID 6879191
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
CID 6889248
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
CID 9557727
N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484723
N-(1-phenylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484735
Pyridine, 4-(4-aminopyrazol-1-yl)-
CID 206684
1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 649594
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-3-pyridinylacetamide
CID 1257381
N-(3,4-difluorophenyl)-1-(1H-pyrazol-1-ylacetyl)-3-piperidinamine
CID 24790849

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide (CID 3236806) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cccnc1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is ZSBLVYQWWDSOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-8-5-10(12(13,14)15)18-19(8)7-11(20)17-9-3-2-4-16-6-9/h2-6H,7H2,1H3,(H,17,20).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 284.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 3236806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).