(3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C21H21N5O3 — CID 97265889

IUPAC(3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccc(Cc2nc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)n[nH]2)cc1
InChIInChI=1S/C21H21N5O3/c1-29-17-9-7-14(8-10-17)11-18-22-21(25-24-18)23-20(28)15-12-19(27)26(13-15)16-5-3-2-4-6-16/h2-10,15H,11-13H2,1H3,(H2,22,23,24,25,28)/t15-/m0/s1
InChIKeyHLYRAZRACDVVSD-HNNXBMFYSA-N
MW391.43 g/mol
LogP2.40
Rot. Bonds6

About (3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 97265889) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is (3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID97265889
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name(3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccc(Cc2nc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)n[nH]2)cc1
InChIInChI=1S/C21H21N5O3/c1-29-17-9-7-14(8-10-17)11-18-22-21(25-24-18)23-20(28)15-12-19(27)26(13-15)16-5-3-2-4-6-16/h2-10,15H,11-13H2,1H3,(H2,22,23,24,25,28)/t15-/m0/s1
InChIKeyHLYRAZRACDVVSD-HNNXBMFYSA-N
XLogP2.40
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-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

(3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 99806905
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94843087
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
(4-benzylphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057134
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51717909
(3R)-N-[2-(benzylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006938
1-(4-methoxyphenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 2926954
1-(4-ethylphenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 56524766
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351791

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 97265889) is (3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is COc1ccc(Cc2nc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)n[nH]2)cc1.
What is the InChIKey of (3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is HLYRAZRACDVVSD-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-29-17-9-7-14(8-10-17)11-18-22-21(25-24-18)23-20(28)15-12-19(27)26(13-15)16-5-3-2-4-6-16/h2-10,15H,11-13H2,1H3,(H2,22,23,24,25,28)/t15-/m0/s1.
What are the key properties of (3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 97265889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).