2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide

C19H23F2N3O2 — CID 50959870

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1cccc(CN(CC)C(=O)Cn2nc(C(F)F)cc2C)c1
InChIInChI=1S/C19H23F2N3O2/c1-4-9-26-16-8-6-7-15(11-16)12-23(5-2)18(25)13-24-14(3)10-17(22-24)19(20)21/h4,6-8,10-11,19H,1,5,9,12-13H2,2-3H3
InChIKeyYBLOEIUMCPEQJK-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.74
Rot. Bonds9

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide (PubChem CID 50959870) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide
PubChem CID50959870
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1cccc(CN(CC)C(=O)Cn2nc(C(F)F)cc2C)c1
InChIInChI=1S/C19H23F2N3O2/c1-4-9-26-16-8-6-7-15(11-16)12-23(5-2)18(25)13-24-14(3)10-17(22-24)19(20)21/h4,6-8,10-11,19H,1,5,9,12-13H2,2-3H3
InChIKeyYBLOEIUMCPEQJK-UHFFFAOYSA-N
XLogP3.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide 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-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531133
ethyl (E)-3-hydroxy-2-[(3-prop-2-enoxyphenyl)methyl]prop-2-enoate
CID 10355343
N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide
CID 50956097
N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 46998618
1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea
CID 60577561
N-ethyl-N-[(3-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285693
N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519475
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
3-[benzyl-[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 75428850
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19337554
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 19519463
N-[(3-ethoxyphenyl)methyl]-N-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 131945412

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide (CID 50959870) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide is C=CCOc1cccc(CN(CC)C(=O)Cn2nc(C(F)F)cc2C)c1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide?
The InChIKey is YBLOEIUMCPEQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-4-9-26-16-8-6-7-15(11-16)12-23(5-2)18(25)13-24-14(3)10-17(22-24)19(20)21/h4,6-8,10-11,19H,1,5,9,12-13H2,2-3H3.
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide has a molecular weight of 363.41 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide is sourced from PubChem (CID 50959870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).