5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide

C23H27N5O — CID 42692846

IUPAC5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc(Cc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H27N5O/c1-2-27-15-9-14-20(27)17-24-23(29)22-25-21(16-18-10-5-3-6-11-18)28(26-22)19-12-7-4-8-13-19/h3-8,10-13,20H,2,9,14-17H2,1H3,(H,24,29)
InChIKeyJPXHTLOSXRUNIS-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.07
Rot. Bonds7

About 5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide

5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42692846) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42692846
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc(Cc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H27N5O/c1-2-27-15-9-14-20(27)17-24-23(29)22-25-21(16-18-10-5-3-6-11-18)28(26-22)19-12-7-4-8-13-19/h3-8,10-13,20H,2,9,14-17H2,1H3,(H,24,29)
InChIKeyJPXHTLOSXRUNIS-UHFFFAOYSA-N
XLogP3.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693104
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016639
5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
CID 42692840
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
2-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089328
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016515
1-(2-benzylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 71876765
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 92691632

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide (CID 42692846) is 5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide is CCN1CCCC1CNC(=O)c1nc(Cc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is JPXHTLOSXRUNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-2-27-15-9-14-20(27)17-24-23(29)22-25-21(16-18-10-5-3-6-11-18)28(26-22)19-12-7-4-8-13-19/h3-8,10-13,20H,2,9,14-17H2,1H3,(H,24,29).
What are the key properties of 5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).