2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C18H19FN4O4 — CID 120696867

IUPAC2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)C2CC(=O)N(c3ccccc3F)C2)cn1
InChIInChI=1S/C18H19FN4O4/c1-18(2,17(26)27)23-10-12(8-20-23)21-16(25)11-7-15(24)22(9-11)14-6-4-3-5-13(14)19/h3-6,8,10-11H,7,9H2,1-2H3,(H,21,25)(H,26,27)
InChIKeyNRKBQHVFTAJKNY-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.83
Rot. Bonds5

About 2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696867) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696867
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)C2CC(=O)N(c3ccccc3F)C2)cn1
InChIInChI=1S/C18H19FN4O4/c1-18(2,17(26)27)23-10-12(8-20-23)21-16(25)11-7-15(24)22(9-11)14-6-4-3-5-13(14)19/h3-6,8,10-11H,7,9H2,1-2H3,(H,21,25)(H,26,27)
InChIKeyNRKBQHVFTAJKNY-UHFFFAOYSA-N
XLogP1.83
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid with MolForge

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Related Compounds

(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 166318281
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2203536
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55674511
(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30179761
(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832
1-(2-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18886113
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
(3R)-1-(2-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29134329
1-(2-fluorophenyl)-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 51176548

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696867) is 2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)C2CC(=O)N(c3ccccc3F)C2)cn1.
What is the InChIKey of 2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is NRKBQHVFTAJKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c1-18(2,17(26)27)23-10-12(8-20-23)21-16(25)11-7-15(24)22(9-11)14-6-4-3-5-13(14)19/h3-6,8,10-11H,7,9H2,1-2H3,(H,21,25)(H,26,27).
What are the key properties of 2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 374.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).