3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide

C15H19N5O — CID 63139493

IUPAC3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccccc2-n2ccnn2)CCNC1
InChIInChI=1S/C15H19N5O/c1-2-15(7-8-16-11-15)14(21)18-12-5-3-4-6-13(12)20-10-9-17-19-20/h3-6,9-10,16H,2,7-8,11H2,1H3,(H,18,21)
InChIKeyHGUQMEOJWPUQSI-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.60
Rot. Bonds4

About 3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide

3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63139493) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID63139493
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccccc2-n2ccnn2)CCNC1
InChIInChI=1S/C15H19N5O/c1-2-15(7-8-16-11-15)14(21)18-12-5-3-4-6-13(12)20-10-9-17-19-20/h3-6,9-10,16H,2,7-8,11H2,1H3,(H,18,21)
InChIKeyHGUQMEOJWPUQSI-UHFFFAOYSA-N
XLogP1.60
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64893121
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139606
N-[2-(dimethylamino)phenyl]-3-ethylpiperidine-3-carboxamide
CID 63131246
2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63722427
3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 63138876
N-(2-ethoxy-3-pyridinyl)-3-ethylpiperidine-3-carboxamide
CID 63130921
3-ethyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140720
3-chloro-2,2-dimethyl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 63678665
N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63138813

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide (CID 63139493) is 3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide is CCC1(C(=O)Nc2ccccc2-n2ccnn2)CCNC1.
What is the InChIKey of 3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is HGUQMEOJWPUQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-15(7-8-16-11-15)14(21)18-12-5-3-4-6-13(12)20-10-9-17-19-20/h3-6,9-10,16H,2,7-8,11H2,1H3,(H,18,21).
What are the key properties of 3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).