2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide

C18H20F3N3O2 — CID 4773472

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C18H20F3N3O2/c1-2-26-15-6-4-3-5-13(15)10-22-17(25)11-24-14(12-7-8-12)9-16(23-24)18(19,20)21/h3-6,9,12H,2,7-8,10-11H2,1H3,(H,22,25)
InChIKeyRVZZFHSCGBEQBS-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.49
Rot. Bonds7

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide (PubChem CID 4773472) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide
PubChem CID4773472
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C18H20F3N3O2/c1-2-26-15-6-4-3-5-13(15)10-22-17(25)11-24-14(12-7-8-12)9-16(23-24)18(19,20)21/h3-6,9,12H,2,7-8,10-11H2,1H3,(H,22,25)
InChIKeyRVZZFHSCGBEQBS-UHFFFAOYSA-N
XLogP3.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide (CID 4773472) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide is CCOc1ccccc1CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide?
The InChIKey is RVZZFHSCGBEQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-2-26-15-6-4-3-5-13(15)10-22-17(25)11-24-14(12-7-8-12)9-16(23-24)18(19,20)21/h3-6,9,12H,2,7-8,10-11H2,1H3,(H,22,25).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide has a molecular weight of 367.37 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4773472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).