2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C9H13F3N4O — CID 43445369

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)NCC(F)(F)F)c(C)c1N
InChIInChI=1S/C9H13F3N4O/c1-5-8(13)6(2)16(15-5)3-7(17)14-4-9(10,11)12/h3-4,13H2,1-2H3,(H,14,17)
InChIKeyXQYSQQASNJUUNC-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.76
Rot. Bonds3

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 43445369) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID43445369
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)NCC(F)(F)F)c(C)c1N
InChIInChI=1S/C9H13F3N4O/c1-5-8(13)6(2)16(15-5)3-7(17)14-4-9(10,11)12/h3-4,13H2,1-2H3,(H,14,17)
InChIKeyXQYSQQASNJUUNC-UHFFFAOYSA-N
XLogP0.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1923948
N-(1-acetyl-3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 676642
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(methylamino)acetamide
CID 2452215
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-isopropylacetamide
CID 1258999
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 720035
5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
N-(butan-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3124864
2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 2805535
N-(tert-butyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]acetamide
CID 744102
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1716418
N-butyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 1877172

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 43445369) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XQYSQQASNJUUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-5-8(13)6(2)16(15-5)3-7(17)14-4-9(10,11)12/h3-4,13H2,1-2H3,(H,14,17).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 250.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 43445369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).