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

C17H24F3N3O — CID 4769337

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C17H24F3N3O/c1-9-6-15(17(18,19)20)22-23(9)11(3)16(24)21-10(2)14-8-12-4-5-13(14)7-12/h6,10-14H,4-5,7-8H2,1-3H3,(H,21,24)
InChIKeyXOMQACYEAINUNL-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.71
Rot. Bonds4

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 4769337) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID4769337
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C17H24F3N3O/c1-9-6-15(17(18,19)20)22-23(9)11(3)16(24)21-10(2)14-8-12-4-5-13(14)7-12/h6,10-14H,4-5,7-8H2,1-3H3,(H,21,24)
InChIKeyXOMQACYEAINUNL-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.71
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-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 4769337) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is XOMQACYEAINUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-9-6-15(17(18,19)20)22-23(9)11(3)16(24)21-10(2)14-8-12-4-5-13(14)7-12/h6,10-14H,4-5,7-8H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 343.39 g/mol, XLogP of 3.71, 4 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-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 4769337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).