1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide

C21H27N5O2 — CID 131899744

IUPAC1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1nncn1CCc1ccccc1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H27N5O2/c27-20-12-17(14-26(20)18-8-4-5-9-18)21(28)22-13-19-24-23-15-25(19)11-10-16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2,(H,22,28)
InChIKeyDLDZDIXGRRKTGT-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.93
Rot. Bonds7

About 1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide

1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 131899744) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID131899744
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1nncn1CCc1ccccc1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H27N5O2/c27-20-12-17(14-26(20)18-8-4-5-9-18)21(28)22-13-19-24-23-15-25(19)11-10-16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2,(H,22,28)
InChIKeyDLDZDIXGRRKTGT-UHFFFAOYSA-N
XLogP1.93
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide
CID 124679845
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
CID 118780297
6-oxo-1-(2-phenylethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 45199030
(3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 97135815
1-cyclopentyl-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 78833389
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155938046
(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364760
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395
5-oxo-1-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 50978202
(3R)-1-cyclopentyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 97124433
(3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7438452

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide (CID 131899744) is 1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1nncn1CCc1ccccc1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is DLDZDIXGRRKTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-20-12-17(14-26(20)18-8-4-5-9-18)21(28)22-13-19-24-23-15-25(19)11-10-16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2,(H,22,28).
What are the key properties of 1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide?
1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 131899744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).