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

C24H29N5O — CID 42693104

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc(CCc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C24H29N5O/c1-2-28-17-9-14-21(28)18-25-24(30)23-26-22(16-15-19-10-5-3-6-11-19)29(27-23)20-12-7-4-8-13-20/h3-8,10-13,21H,2,9,14-18H2,1H3,(H,25,30)
InChIKeyZLEQGYHTIAIQAM-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.27
Rot. Bonds8

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42693104) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
PubChem CID42693104
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc(CCc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C24H29N5O/c1-2-28-17-9-14-21(28)18-25-24(30)23-26-22(16-15-19-10-5-3-6-11-19)29(27-23)20-12-7-4-8-13-20/h3-8,10-13,21H,2,9,14-18H2,1H3,(H,25,30)
InChIKeyZLEQGYHTIAIQAM-UHFFFAOYSA-N
XLogP3.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692846
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 95074858
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016639
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016515
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-(2-benzylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 71876765
1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8839650
3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45490962

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide (CID 42693104) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide is CCN1CCCC1CNC(=O)c1nc(CCc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is ZLEQGYHTIAIQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-2-28-17-9-14-21(28)18-25-24(30)23-26-22(16-15-19-10-5-3-6-11-19)29(27-23)20-12-7-4-8-13-20/h3-8,10-13,21H,2,9,14-18H2,1H3,(H,25,30).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42693104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).