N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide

C11H16F3N3O — CID 19453986

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCCn1nc(C)c(CN(C)C(=O)C(F)(F)F)c1C
InChIInChI=1S/C11H16F3N3O/c1-5-17-8(3)9(7(2)15-17)6-16(4)10(18)11(12,13)14/h5-6H2,1-4H3
InChIKeyAZZHZMOMRUEHDO-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.04
Rot. Bonds3

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 19453986) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID19453986
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCCn1nc(C)c(CN(C)C(=O)C(F)(F)F)c1C
InChIInChI=1S/C11H16F3N3O/c1-5-17-8(3)9(7(2)15-17)6-16(4)10(18)11(12,13)14/h5-6H2,1-4H3
InChIKeyAZZHZMOMRUEHDO-UHFFFAOYSA-N
XLogP2.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide 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

2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 4070351
N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 135065447
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4769507
Pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 23094799
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide
CID 47452820
N-isobutyl-1-isopropyl-5-methyl-3-(trifluoromethyl
CID 49670283
(1,5-dimethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)(4-ethylpiperazin-1-yl)methanone
CID 49675607
(1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)(4-methylpiperazin-1-yl)methanone
CID 49675638
1-(4-(1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl)piperazin-1-yl)ethanone
CID 49675652
N-isopentyl-1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675662
N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 53528011

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide (CID 19453986) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide is CCn1nc(C)c(CN(C)C(=O)C(F)(F)F)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is AZZHZMOMRUEHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-5-17-8(3)9(7(2)15-17)6-16(4)10(18)11(12,13)14/h5-6H2,1-4H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 263.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 19453986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).