N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide

C16H21N5O — CID 146131423

IUPACN-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCCC1Cn1cncn1
InChIInChI=1S/C16H21N5O/c22-16(18-9-8-14-5-2-1-3-6-14)21-10-4-7-15(21)11-20-13-17-12-19-20/h1-3,5-6,12-13,15H,4,7-11H2,(H,18,22)
InChIKeyPAEKPBHWFXXUHA-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.69
Rot. Bonds5

About N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide

N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 146131423) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID146131423
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCCC1Cn1cncn1
InChIInChI=1S/C16H21N5O/c22-16(18-9-8-14-5-2-1-3-6-14)21-10-4-7-15(21)11-20-13-17-12-19-20/h1-3,5-6,12-13,15H,4,7-11H2,(H,18,22)
InChIKeyPAEKPBHWFXXUHA-UHFFFAOYSA-N
XLogP1.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95342886
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
1-[[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95305742
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314664
2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide
CID 111427847
(3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 92633456
N-(3-phenylpropyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95341612
3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018496
2-(hydroxymethyl)-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 111428221
(2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426089
(2S)-2-methyl-1-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 92582374
N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634245

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide (CID 146131423) is N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCCc1ccccc1)N1CCCC1Cn1cncn1.
What is the InChIKey of N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is PAEKPBHWFXXUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c22-16(18-9-8-14-5-2-1-3-6-14)21-10-4-7-15(21)11-20-13-17-12-19-20/h1-3,5-6,12-13,15H,4,7-11H2,(H,18,22).
What are the key properties of N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide?
N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146131423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).