[5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone

C23H24N4O — CID 86874602

IUPAC[5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESCc1ccc(-n2nnc(C(=O)N3CCC(c4ccccc4)C3)c2C2CC2)cc1
InChIInChI=1S/C23H24N4O/c1-16-7-11-20(12-8-16)27-22(18-9-10-18)21(24-25-27)23(28)26-14-13-19(15-26)17-5-3-2-4-6-17/h2-8,11-12,18-19H,9-10,13-15H2,1H3
InChIKeyABKTYIFHVGTSJA-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.08
Rot. Bonds4

About [5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone

[5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 86874602) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID86874602
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESCc1ccc(-n2nnc(C(=O)N3CCC(c4ccccc4)C3)c2C2CC2)cc1
InChIInChI=1S/C23H24N4O/c1-16-7-11-20(12-8-16)27-22(18-9-10-18)21(24-25-27)23(28)26-14-13-19(15-26)17-5-3-2-4-6-17/h2-8,11-12,18-19H,9-10,13-15H2,1H3
InChIKeyABKTYIFHVGTSJA-UHFFFAOYSA-N
XLogP4.08
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 75428023
(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697850
5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 75383497
(5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572067
5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide
CID 172994889
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 119491525
(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 79783331
[1-(4-bromophenyl)-5-cyclopropyltriazol-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56519274
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 119638268
4-ethyl-2-(4-methylphenyl)-6-[5-(3-phenylpyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazine-3,5-dione
CID 50776440
N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86934070

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone (CID 86874602) is [5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone is Cc1ccc(-n2nnc(C(=O)N3CCC(c4ccccc4)C3)c2C2CC2)cc1.
What is the InChIKey of [5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is ABKTYIFHVGTSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-7-11-20(12-8-16)27-22(18-9-10-18)21(24-25-27)23(28)26-14-13-19(15-26)17-5-3-2-4-6-17/h2-8,11-12,18-19H,9-10,13-15H2,1H3.
What are the key properties of [5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
[5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 86874602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).