2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide

C15H21F3N4O — CID 4769856

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1
InChIInChI=1S/C15H21F3N4O/c1-21-6-4-11(5-7-21)19-14(23)9-22-12(10-2-3-10)8-13(20-22)15(16,17)18/h8,10-11H,2-7,9H2,1H3,(H,19,23)
InChIKeyWCTQWNUWUAYKMP-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.99
Rot. Bonds4

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 4769856) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID4769856
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1
InChIInChI=1S/C15H21F3N4O/c1-21-6-4-11(5-7-21)19-14(23)9-22-12(10-2-3-10)8-13(20-22)15(16,17)18/h8,10-11H,2-7,9H2,1H3,(H,19,23)
InChIKeyWCTQWNUWUAYKMP-UHFFFAOYSA-N
XLogP1.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide (CID 4769856) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is WCTQWNUWUAYKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-21-6-4-11(5-7-21)19-14(23)9-22-12(10-2-3-10)8-13(20-22)15(16,17)18/h8,10-11H,2-7,9H2,1H3,(H,19,23).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 330.35 g/mol, XLogP of 1.99, 4 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-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 4769856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).