3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C19H29F3N4O — CID 4772970

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)CC(C)(C)N1
InChIInChI=1S/C19H29F3N4O/c1-17(2)10-13(11-18(3,4)25-17)23-16(27)7-8-26-14(12-5-6-12)9-15(24-26)19(20,21)22/h9,12-13,25H,5-8,10-11H2,1-4H3,(H,23,27)
InChIKeyOAKPMQXYBHIJSV-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.59
Rot. Bonds5

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 4772970) has the molecular formula C19H29F3N4O and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID4772970
Molecular FormulaC19H29F3N4O
Molecular Weight386.46 g/mol
Exact Mass386.23
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)CC(C)(C)N1
InChIInChI=1S/C19H29F3N4O/c1-17(2)10-13(11-18(3,4)25-17)23-16(27)7-8-26-14(12-5-6-12)9-15(24-26)19(20,21)22/h9,12-13,25H,5-8,10-11H2,1-4H3,(H,23,27)
InChIKeyOAKPMQXYBHIJSV-UHFFFAOYSA-N
XLogP3.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 4772970) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is CC1(C)CC(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)CC(C)(C)N1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is OAKPMQXYBHIJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N4O/c1-17(2)10-13(11-18(3,4)25-17)23-16(27)7-8-26-14(12-5-6-12)9-15(24-26)19(20,21)22/h9,12-13,25H,5-8,10-11H2,1-4H3,(H,23,27).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 386.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 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-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 4772970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).