5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide

C25H27N5O2 — CID 86874566

IUPAC5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NC(C)c3ccc(N4CCCC4=O)cc3)c2C2CC2)cc1
InChIInChI=1S/C25H27N5O2/c1-16-5-11-21(12-6-16)30-24(19-7-8-19)23(27-28-30)25(32)26-17(2)18-9-13-20(14-10-18)29-15-3-4-22(29)31/h5-6,9-14,17,19H,3-4,7-8,15H2,1-2H3,(H,26,32)
InChIKeyVCWOMQBDZFDKEG-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.07
Rot. Bonds6

About 5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide

5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide (PubChem CID 86874566) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide
PubChem CID86874566
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NC(C)c3ccc(N4CCCC4=O)cc3)c2C2CC2)cc1
InChIInChI=1S/C25H27N5O2/c1-16-5-11-21(12-6-16)30-24(19-7-8-19)23(27-28-30)25(32)26-17(2)18-9-13-20(14-10-18)29-15-3-4-22(29)31/h5-6,9-14,17,19H,3-4,7-8,15H2,1-2H3,(H,26,32)
InChIKeyVCWOMQBDZFDKEG-UHFFFAOYSA-N
XLogP4.07
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755935
2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119755928
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41156699
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132662608
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 48824198
3-[[1-(4-bromophenyl)-5-cyclopropyltriazole-4-carbonyl]amino]butanoic acid
CID 119221057
5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide
CID 172994889
4-(2-oxopyrrolidin-1-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657710
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 124744134
N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86972051

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide (CID 86874566) is 5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)NC(C)c3ccc(N4CCCC4=O)cc3)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide?
The InChIKey is VCWOMQBDZFDKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16-5-11-21(12-6-16)30-24(19-7-8-19)23(27-28-30)25(32)26-17(2)18-9-13-20(14-10-18)29-15-3-4-22(29)31/h5-6,9-14,17,19H,3-4,7-8,15H2,1-2H3,(H,26,32).
What are the key properties of 5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide?
5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-methylphenyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 86874566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).