1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide

C20H21N5O — CID 43071245

IUPAC1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C20H21N5O/c26-20(19-15-25(23-22-19)18-9-5-2-6-10-18)21-13-16-11-12-24(14-16)17-7-3-1-4-8-17/h1-10,15-16H,11-14H2,(H,21,26)
InChIKeyOUZAZVVRUHSRLP-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.52
Rot. Bonds5

About 1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide

1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide (PubChem CID 43071245) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide
PubChem CID43071245
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C20H21N5O/c26-20(19-15-25(23-22-19)18-9-5-2-6-10-18)21-13-16-11-12-24(14-16)17-7-3-1-4-8-17/h1-10,15-16H,11-14H2,(H,21,26)
InChIKeyOUZAZVVRUHSRLP-UHFFFAOYSA-N
XLogP2.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 38442945
1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119461356
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 55621665
1-(4-aminocyclohexyl)-N-[[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide
CID 98313560
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357
6-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylpyridazine-3-carboxamide
CID 43065015
5-bromo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 35201071
6-(dimethylamino)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 38441786

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide (CID 43071245) is 1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide is O=C(NCC1CCN(c2ccccc2)C1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is OUZAZVVRUHSRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(19-15-25(23-22-19)18-9-5-2-6-10-18)21-13-16-11-12-24(14-16)17-7-3-1-4-8-17/h1-10,15-16H,11-14H2,(H,21,26).
What are the key properties of 1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide?
1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 43071245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).