1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid

C23H24FN3O2 — CID 122046242

IUPAC1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(-n2cc(CN3CCC(C)(C(=O)O)C3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H24FN3O2/c1-16-3-9-20(10-4-16)27-14-18(13-26-12-11-23(2,15-26)22(28)29)21(25-27)17-5-7-19(24)8-6-17/h3-10,14H,11-13,15H2,1-2H3,(H,28,29)
InChIKeyBCFZWYBJAJTZKL-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.28
Rot. Bonds5

About 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122046242) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122046242
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(-n2cc(CN3CCC(C)(C(=O)O)C3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H24FN3O2/c1-16-3-9-20(10-4-16)27-14-18(13-26-12-11-23(2,15-26)22(28)29)21(25-27)17-5-7-19(24)8-6-17/h3-10,14H,11-13,15H2,1-2H3,(H,28,29)
InChIKeyBCFZWYBJAJTZKL-UHFFFAOYSA-N
XLogP4.28
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122046242) is 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid is Cc1ccc(-n2cc(CN3CCC(C)(C(=O)O)C3)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is BCFZWYBJAJTZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-16-3-9-20(10-4-16)27-14-18(13-26-12-11-23(2,15-26)22(28)29)21(25-27)17-5-7-19(24)8-6-17/h3-10,14H,11-13,15H2,1-2H3,(H,28,29).
What are the key properties of 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 393.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122046242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).