1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide

C20H18FN5O2 — CID 24509541

IUPAC1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2N2CCCC2=O)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H18FN5O2/c1-13-22-19(24-26(13)15-10-8-14(21)9-11-15)20(28)23-16-5-2-3-6-17(16)25-12-4-7-18(25)27/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,23,28)
InChIKeyUCJKZYNWNRMTOS-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.09
Rot. Bonds4

About 1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 24509541) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID24509541
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2N2CCCC2=O)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H18FN5O2/c1-13-22-19(24-26(13)15-10-8-14(21)9-11-15)20(28)23-16-5-2-3-6-17(16)25-12-4-7-18(25)27/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,23,28)
InChIKeyUCJKZYNWNRMTOS-UHFFFAOYSA-N
XLogP3.09
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide (CID 24509541) is 1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2ccccc2N2CCCC2=O)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is UCJKZYNWNRMTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-13-22-19(24-26(13)15-10-8-14(21)9-11-15)20(28)23-16-5-2-3-6-17(16)25-12-4-7-18(25)27/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,23,28).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 24509541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).