1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide

C17H27N5O2 — CID 46994179

IUPAC1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCn1cncn1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H27N5O2/c23-16(19-9-5-10-21-13-18-12-20-21)15-8-4-11-22(15)17(24)14-6-2-1-3-7-14/h12-15H,1-11H2,(H,19,23)
InChIKeyLMPGOKJXLJNVSX-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.36
Rot. Bonds6

About 1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide

1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide (PubChem CID 46994179) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide
PubChem CID46994179
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCn1cncn1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H27N5O2/c23-16(19-9-5-10-21-13-18-12-20-21)15-8-4-11-22(15)17(24)14-6-2-1-3-7-14/h12-15H,1-11H2,(H,19,23)
InChIKeyLMPGOKJXLJNVSX-UHFFFAOYSA-N
XLogP1.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(dicyclopropylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53593797
5-propyl-5-{1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl}imidazolidine-2,4-dione
CID 56707287
N-{rel-(3R,4S)-4-cyclopropyl-1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-pyrrolidinyl}cyclohexanecarboxamide hydrochloride
CID 72873549
N-[[(3R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95216280
(2S)-N-(cyclohexylmethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 97605761
2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide
CID 166389907
N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 42947733
N-[1-(cyclohexylmethyl)-3-piperidinyl]-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 45205798
1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 47054847
(4R)-4-amino-N-ethyl-1-{[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}-L-prolinamide
CID 56706625
N-({1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-3-yl}methyl)cyclohexanecarboxamide
CID 56753991
1-(cyclohexylcarbonyl)-N-4H-1,2,4-triazol-4-ylpyrrolidine-2-carboxamide
CID 56862096

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide (CID 46994179) is 1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide is O=C(NCCCn1cncn1)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is LMPGOKJXLJNVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c23-16(19-9-5-10-21-13-18-12-20-21)15-8-4-11-22(15)17(24)14-6-2-1-3-7-14/h12-15H,1-11H2,(H,19,23).
What are the key properties of 1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide?
1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46994179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).