N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide

C17H20FN5O2 — CID 71784605

IUPACN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(Cc2cccc(F)c2)N2CCCC2=O)nn1
InChIInChI=1S/C17H20FN5O2/c1-22-11-15(20-21-22)17(25)19-10-14(23-7-3-6-16(23)24)9-12-4-2-5-13(18)8-12/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3,(H,19,25)
InChIKeyBQQSQUSGMBZFBL-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.92
Rot. Bonds6

About N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide

N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide (PubChem CID 71784605) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide
PubChem CID71784605
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(Cc2cccc(F)c2)N2CCCC2=O)nn1
InChIInChI=1S/C17H20FN5O2/c1-22-11-15(20-21-22)17(25)19-10-14(23-7-3-6-16(23)24)9-12-4-2-5-13(18)8-12/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3,(H,19,25)
InChIKeyBQQSQUSGMBZFBL-UHFFFAOYSA-N
XLogP0.92
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide (CID 71784605) is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NCC(Cc2cccc(F)c2)N2CCCC2=O)nn1.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide?
The InChIKey is BQQSQUSGMBZFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-22-11-15(20-21-22)17(25)19-10-14(23-7-3-6-16(23)24)9-12-4-2-5-13(18)8-12/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3,(H,19,25).
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide?
N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 71784605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).