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

C12H16F3N3O2 — CID 19526295

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H16F3N3O2/c1-20-5-4-16-11(19)7-18-9(8-2-3-8)6-10(17-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,19)
InChIKeyPWGCCIDTJQVOJG-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.54
Rot. Bonds6

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 19526295) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID19526295
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H16F3N3O2/c1-20-5-4-16-11(19)7-18-9(8-2-3-8)6-10(17-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,19)
InChIKeyPWGCCIDTJQVOJG-UHFFFAOYSA-N
XLogP1.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide (CID 19526295) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is PWGCCIDTJQVOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-20-5-4-16-11(19)7-18-9(8-2-3-8)6-10(17-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,19).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 291.27 g/mol, XLogP of 1.54, 6 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-methoxyethyl)acetamide is sourced from PubChem (CID 19526295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).