2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid

C15H14FN3O3 — CID 91654399

IUPAC2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C1c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FN3O3/c1-18-13(20)6-12(15(21)22)14(18)9-7-17-19(8-9)11-4-2-10(16)3-5-11/h2-5,7-8,12,14H,6H2,1H3,(H,21,22)
InChIKeyGEZFVZUKDUGFQS-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.62
Rot. Bonds3

About 2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid

2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 91654399) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID91654399
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C1c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FN3O3/c1-18-13(20)6-12(15(21)22)14(18)9-7-17-19(8-9)11-4-2-10(16)3-5-11/h2-5,7-8,12,14H,6H2,1H3,(H,21,22)
InChIKeyGEZFVZUKDUGFQS-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid (CID 91654399) is 2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid is CN1C(=O)CC(C(=O)O)C1c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is GEZFVZUKDUGFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-18-13(20)6-12(15(21)22)14(18)9-7-17-19(8-9)11-4-2-10(16)3-5-11/h2-5,7-8,12,14H,6H2,1H3,(H,21,22).
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 303.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 91654399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).