3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide

C15H22F3N5O — CID 138006460

IUPAC3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(C2CCCC2)C1)c1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C15H22F3N5O/c1-9(12-20-13(22-21-12)15(16,17)18)19-14(24)23-7-6-11(8-23)10-4-2-3-5-10/h9-11H,2-8H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyBHLHFHVFFGOBRJ-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.11
Rot. Bonds3

About 3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide

3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 138006460) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID138006460
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC Name3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(C2CCCC2)C1)c1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C15H22F3N5O/c1-9(12-20-13(22-21-12)15(16,17)18)19-14(24)23-7-6-11(8-23)10-4-2-3-5-10/h9-11H,2-8H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyBHLHFHVFFGOBRJ-UHFFFAOYSA-N
XLogP3.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide (CID 138006460) is 3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide is CC(NC(=O)N1CCC(C2CCCC2)C1)c1nc(C(F)(F)F)n[nH]1.
What is the InChIKey of 3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is BHLHFHVFFGOBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c1-9(12-20-13(22-21-12)15(16,17)18)19-14(24)23-7-6-11(8-23)10-4-2-3-5-10/h9-11H,2-8H2,1H3,(H,19,24)(H,20,21,22).
What are the key properties of 3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide?
3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 138006460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).