1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide

C20H21N5O — CID 136545193

IUPAC1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ncn[nH]2)cc1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H21N5O/c26-20(17-10-11-25(13-17)12-15-4-2-1-3-5-15)23-18-8-6-16(7-9-18)19-21-14-22-24-19/h1-9,14,17H,10-13H2,(H,23,26)(H,21,22,24)
InChIKeyFXKKKFQBSPAKIW-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.93
Rot. Bonds5

About 1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide

1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 136545193) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID136545193
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ncn[nH]2)cc1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H21N5O/c26-20(17-10-11-25(13-17)12-15-4-2-1-3-5-15)23-18-8-6-16(7-9-18)19-21-14-22-24-19/h1-9,14,17H,10-13H2,(H,23,26)(H,21,22,24)
InChIKeyFXKKKFQBSPAKIW-UHFFFAOYSA-N
XLogP2.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-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

1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
(7R)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339637
(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 42519609
1-benzyl-N-(6-phenyl-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 70036441
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
(3S)-1-benzyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]piperidine-3-carboxamide
CID 100777293
1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 47804635
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide (CID 136545193) is 1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2ncn[nH]2)cc1)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is FXKKKFQBSPAKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(17-10-11-25(13-17)12-15-4-2-1-3-5-15)23-18-8-6-16(7-9-18)19-21-14-22-24-19/h1-9,14,17H,10-13H2,(H,23,26)(H,21,22,24).
What are the key properties of 1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 136545193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).