(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid

C21H20N4O3 — CID 124697850

IUPAC(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CC[C@@H](C(=O)O)C2)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N4O3/c1-14-19(20(26)24-12-11-17(13-24)21(27)28)22-23-25(14)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,27,28)/t17-/m1/s1
InChIKeyDOFNWMMRFBYXGI-QGZVFWFLSA-N
MW376.42 g/mol
LogP2.79
Rot. Bonds4

About (3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid

(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 124697850) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID124697850
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CC[C@@H](C(=O)O)C2)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N4O3/c1-14-19(20(26)24-12-11-17(13-24)21(27)28)22-23-25(14)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,27,28)/t17-/m1/s1
InChIKeyDOFNWMMRFBYXGI-QGZVFWFLSA-N
XLogP2.79
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide
CID 119125999
(3R)-1-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 125149150
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 119491525
(3S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 125148720
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 124691205
1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]piperidine-3-carboxylic acid
CID 75469060
(3S)-1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514143
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
(3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125152338
(2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 120569446
[5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 86874602
5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide
CID 119388737

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid (CID 124697850) is (3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid is Cc1c(C(=O)N2CC[C@@H](C(=O)O)C2)nnn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DOFNWMMRFBYXGI-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14-19(20(26)24-12-11-17(13-24)21(27)28)22-23-25(14)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,27,28)/t17-/m1/s1.
What are the key properties of (3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 376.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124697850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).