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

C17H23N5O2 — CID 51084199

IUPAC2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)NCCCn2cncn2)c1
InChIInChI=1S/C17H23N5O2/c1-24-15-6-2-5-14(11-15)16-7-3-10-22(16)17(23)19-8-4-9-21-13-18-12-20-21/h2,5-6,11-13,16H,3-4,7-10H2,1H3,(H,19,23)
InChIKeyKFAQKAQKHKQTFI-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.22
Rot. Bonds6

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

2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide (PubChem CID 51084199) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
PubChem CID51084199
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)NCCCn2cncn2)c1
InChIInChI=1S/C17H23N5O2/c1-24-15-6-2-5-14(11-15)16-7-3-10-22(16)17(23)19-8-4-9-21-13-18-12-20-21/h2,5-6,11-13,16H,3-4,7-10H2,1H3,(H,19,23)
InChIKeyKFAQKAQKHKQTFI-UHFFFAOYSA-N
XLogP2.22
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-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

(2R)-2-(4-ethoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 94058325
(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124572131
(2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 94057824
N-(5-hydroxy-4,4-dimethylpentyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 111755058
(2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide
CID 125436060
2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 138994487
N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 166205678
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 51075790
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94120134
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94031022

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide (CID 51084199) is 2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide is COc1cccc(C2CCCN2C(=O)NCCCn2cncn2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is KFAQKAQKHKQTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-24-15-6-2-5-14(11-15)16-7-3-10-22(16)17(23)19-8-4-9-21-13-18-12-20-21/h2,5-6,11-13,16H,3-4,7-10H2,1H3,(H,19,23).
What are the key properties of 2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide?
2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 51084199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).