N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide

C16H19FN4O — CID 3230997

IUPACN-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide
SMILESCC(c1ccccc1F)n1cc(C(=O)NC2CCCC2)nn1
InChIInChI=1S/C16H19FN4O/c1-11(13-8-4-5-9-14(13)17)21-10-15(19-20-21)16(22)18-12-6-2-3-7-12/h4-5,8-12H,2-3,6-7H2,1H3,(H,18,22)
InChIKeyNXAQNICHDSINDA-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.70
Rot. Bonds4

About N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide

N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide (PubChem CID 3230997) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide
PubChem CID3230997
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide
SMILESCC(c1ccccc1F)n1cc(C(=O)NC2CCCC2)nn1
InChIInChI=1S/C16H19FN4O/c1-11(13-8-4-5-9-14(13)17)21-10-15(19-20-21)16(22)18-12-6-2-3-7-12/h4-5,8-12H,2-3,6-7H2,1H3,(H,18,22)
InChIKeyNXAQNICHDSINDA-UHFFFAOYSA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide (CID 3230997) is N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide is CC(c1ccccc1F)n1cc(C(=O)NC2CCCC2)nn1.
What is the InChIKey of N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide?
The InChIKey is NXAQNICHDSINDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11(13-8-4-5-9-14(13)17)21-10-15(19-20-21)16(22)18-12-6-2-3-7-12/h4-5,8-12H,2-3,6-7H2,1H3,(H,18,22).
What are the key properties of N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide?
N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[1-(2-fluorophenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 3230997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).