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

C24H25FN4O2 — CID 25163585

IUPAC1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C24H25FN4O2/c1-17-5-7-18(8-6-17)23-21(16-29(27-23)20-11-9-19(25)10-12-20)24(31)26-13-3-15-28-14-2-4-22(28)30/h5-12,16H,2-4,13-15H2,1H3,(H,26,31)
InChIKeyBGYHMOLBWPEUDI-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.73
Rot. Bonds7

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

1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide (PubChem CID 25163585) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
PubChem CID25163585
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C24H25FN4O2/c1-17-5-7-18(8-6-17)23-21(16-29(27-23)20-11-9-19(25)10-12-20)24(31)26-13-3-15-28-14-2-4-22(28)30/h5-12,16H,2-4,13-15H2,1H3,(H,26,31)
InChIKeyBGYHMOLBWPEUDI-UHFFFAOYSA-N
XLogP3.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide (CID 25163585) is 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCCN2CCCC2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is BGYHMOLBWPEUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-17-5-7-18(8-6-17)23-21(16-29(27-23)20-11-9-19(25)10-12-20)24(31)26-13-3-15-28-14-2-4-22(28)30/h5-12,16H,2-4,13-15H2,1H3,(H,26,31).
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 25163585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).