N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide

C26H29FN4O2 — CID 55976056

IUPACN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C26H29FN4O2/c1-30(26(33)19-11-13-23(14-12-19)31-16-6-10-25(31)32)15-4-2-3-9-22-18-24(29-28-22)20-7-5-8-21(27)17-20/h5,7-8,11-14,17-18H,2-4,6,9-10,15-16H2,1H3,(H,28,29)
InChIKeyXIIATYPBLQDZKB-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.83
Rot. Bonds9

About N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55976056) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55976056
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C26H29FN4O2/c1-30(26(33)19-11-13-23(14-12-19)31-16-6-10-25(31)32)15-4-2-3-9-22-18-24(29-28-22)20-7-5-8-21(27)17-20/h5,7-8,11-14,17-18H,2-4,6,9-10,15-16H2,1H3,(H,28,29)
InChIKeyXIIATYPBLQDZKB-UHFFFAOYSA-N
XLogP4.83
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide (CID 55976056) is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is XIIATYPBLQDZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-30(26(33)19-11-13-23(14-12-19)31-16-6-10-25(31)32)15-4-2-3-9-22-18-24(29-28-22)20-7-5-8-21(27)17-20/h5,7-8,11-14,17-18H,2-4,6,9-10,15-16H2,1H3,(H,28,29).
What are the key properties of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 448.54 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55976056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).