N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C18H24F3N3O — CID 4769926

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)C1CC2CCC1C2
InChIInChI=1S/C18H24F3N3O/c1-10(14-7-11-2-3-13(14)6-11)22-17(25)9-24-15(12-4-5-12)8-16(23-24)18(19,20)21/h8,10-14H,2-7,9H2,1H3,(H,22,25)
InChIKeyBBSVCYAZNREFTL-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.72
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4769926) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4769926
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)C1CC2CCC1C2
InChIInChI=1S/C18H24F3N3O/c1-10(14-7-11-2-3-13(14)6-11)22-17(25)9-24-15(12-4-5-12)8-16(23-24)18(19,20)21/h8,10-14H,2-7,9H2,1H3,(H,22,25)
InChIKeyBBSVCYAZNREFTL-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4769926) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is BBSVCYAZNREFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-10(14-7-11-2-3-13(14)6-11)22-17(25)9-24-15(12-4-5-12)8-16(23-24)18(19,20)21/h8,10-14H,2-7,9H2,1H3,(H,22,25).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4769926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).