3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide

C16H24F3N3O2 — CID 19540128

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide
SMILESCCOCCCNC(=O)C(C)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H24F3N3O2/c1-3-24-8-4-7-20-15(23)11(2)10-22-13(12-5-6-12)9-14(21-22)16(17,18)19/h9,11-12H,3-8,10H2,1-2H3,(H,20,23)
InChIKeyBQJFRKLJAAIUTH-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.96
Rot. Bonds9

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide (PubChem CID 19540128) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide
PubChem CID19540128
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide
SMILESCCOCCCNC(=O)C(C)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H24F3N3O2/c1-3-24-8-4-7-20-15(23)11(2)10-22-13(12-5-6-12)9-14(21-22)16(17,18)19/h9,11-12H,3-8,10H2,1-2H3,(H,20,23)
InChIKeyBQJFRKLJAAIUTH-UHFFFAOYSA-N
XLogP2.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide 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 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide (CID 19540128) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide is CCOCCCNC(=O)C(C)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide?
The InChIKey is BQJFRKLJAAIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-3-24-8-4-7-20-15(23)11(2)10-22-13(12-5-6-12)9-14(21-22)16(17,18)19/h9,11-12H,3-8,10H2,1-2H3,(H,20,23).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide has a molecular weight of 347.38 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide is sourced from PubChem (CID 19540128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).