N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide

C11H12F7N3O — CID 19454341

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
SMILESCCn1nccc1CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F7N3O/c1-3-21-7(4-5-19-21)6-20(2)8(22)9(12,13)10(14,15)11(16,17)18/h4-5H,3,6H2,1-2H3
InChIKeyGYNYRRCGYVVMBF-UHFFFAOYSA-N
MW335.22 g/mol
LogP2.69
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide

N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide (PubChem CID 19454341) has the molecular formula C11H12F7N3O and a molecular weight of 335.22 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
PubChem CID19454341
Molecular FormulaC11H12F7N3O
Molecular Weight335.22 g/mol
Exact Mass335.09
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
SMILESCCn1nccc1CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F7N3O/c1-3-21-7(4-5-19-21)6-20(2)8(22)9(12,13)10(14,15)11(16,17)18/h4-5H,3,6H2,1-2H3
InChIKeyGYNYRRCGYVVMBF-UHFFFAOYSA-N
XLogP2.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide 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-(4-chloropyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,2-dimethylpropanamide
CID 19454404
N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19278025
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-phenylacetamide
CID 19454252
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 122143622
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19531028
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19478689
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 19454355
4-(difluoromethoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454317
N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 35520802
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19456413
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454265
(2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide
CID 35520817

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide (CID 19454341) is N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide is CCn1nccc1CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide?
The InChIKey is GYNYRRCGYVVMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F7N3O/c1-3-21-7(4-5-19-21)6-20(2)8(22)9(12,13)10(14,15)11(16,17)18/h4-5H,3,6H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide?
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide has a molecular weight of 335.22 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide is sourced from PubChem (CID 19454341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).