2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide

C12H14F3N5O — CID 146088492

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)Nc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C12H14F3N5O/c1-6-8(7(2)18-17-6)4-10(21)16-9-5-20(3)19-11(9)12(13,14)15/h5H,4H2,1-3H3,(H,16,21)(H,17,18)
InChIKeyIEFKKXQIHVDRKT-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.96
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide (PubChem CID 146088492) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
PubChem CID146088492
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)Nc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C12H14F3N5O/c1-6-8(7(2)18-17-6)4-10(21)16-9-5-20(3)19-11(9)12(13,14)15/h5H,4H2,1-3H3,(H,16,21)(H,17,18)
InChIKeyIEFKKXQIHVDRKT-UHFFFAOYSA-N
XLogP1.96
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 51072997
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide
CID 99829231
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide
CID 138027211
N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 110695334
N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 110695352
methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]thiophene-2-carboxylate
CID 43408089
2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 99776417
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-phenylphenyl)acetamide
CID 9319157
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
CID 43431213
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 110695347

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide (CID 146088492) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide is Cc1n[nH]c(C)c1CC(=O)Nc1cn(C)nc1C(F)(F)F.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The InChIKey is IEFKKXQIHVDRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-6-8(7(2)18-17-6)4-10(21)16-9-5-20(3)19-11(9)12(13,14)15/h5H,4H2,1-3H3,(H,16,21)(H,17,18).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide has a molecular weight of 301.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 146088492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).