N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide

C18H20FN5O2 — CID 172906146

IUPACN-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(CC2CC(=O)N(Cc3ccc(F)cc3)C2)nn1
InChIInChI=1S/C18H20FN5O2/c19-14-3-1-12(2-4-14)8-23-9-13(7-17(23)25)10-24-11-16(21-22-24)18(26)20-15-5-6-15/h1-4,11,13,15H,5-10H2,(H,20,26)
InChIKeyVDGQWPGHJWNPCF-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.36
Rot. Bonds6

About N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide

N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide (PubChem CID 172906146) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide
PubChem CID172906146
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC NameN-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(CC2CC(=O)N(Cc3ccc(F)cc3)C2)nn1
InChIInChI=1S/C18H20FN5O2/c19-14-3-1-12(2-4-14)8-23-9-13(7-17(23)25)10-24-11-16(21-22-24)18(26)20-15-5-6-15/h1-4,11,13,15H,5-10H2,(H,20,26)
InChIKeyVDGQWPGHJWNPCF-UHFFFAOYSA-N
XLogP1.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxylic acid
CID 172906191
ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 42403773
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42123595
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919398
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 16919409
1-[[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methyl]-N-cyclopentyltriazole-4-carboxamide
CID 171144200
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 25383408
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]butanamide
CID 16919406
1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
CID 25295269
1-(4-fluorophenyl)-3-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea
CID 40923279
3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40911327
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55960560

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide (CID 172906146) is N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide is O=C(NC1CC1)c1cn(CC2CC(=O)N(Cc3ccc(F)cc3)C2)nn1.
What is the InChIKey of N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide?
The InChIKey is VDGQWPGHJWNPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c19-14-3-1-12(2-4-14)8-23-9-13(7-17(23)25)10-24-11-16(21-22-24)18(26)20-15-5-6-15/h1-4,11,13,15H,5-10H2,(H,20,26).
What are the key properties of N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide?
N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 172906146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).