5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid

C19H19FN2O2 — CID 71227865

IUPAC5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid
SMILESCCCC1C(C(=O)O)C(c2ccc(F)cc2)=NN1c1ccccc1
InChIInChI=1S/C19H19FN2O2/c1-2-6-16-17(19(23)24)18(13-9-11-14(20)12-10-13)21-22(16)15-7-4-3-5-8-15/h3-5,7-12,16-17H,2,6H2,1H3,(H,23,24)
InChIKeyOCNNTBKBBUYJQO-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.92
Rot. Bonds5

About 5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid

5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid (PubChem CID 71227865) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid
PubChem CID71227865
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid
SMILESCCCC1C(C(=O)O)C(c2ccc(F)cc2)=NN1c1ccccc1
InChIInChI=1S/C19H19FN2O2/c1-2-6-16-17(19(23)24)18(13-9-11-14(20)12-10-13)21-22(16)15-7-4-3-5-8-15/h3-5,7-12,16-17H,2,6H2,1H3,(H,23,24)
InChIKeyOCNNTBKBBUYJQO-UHFFFAOYSA-N
XLogP3.92
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid (CID 71227865) is 5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid is CCCC1C(C(=O)O)C(c2ccc(F)cc2)=NN1c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid?
The InChIKey is OCNNTBKBBUYJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-2-6-16-17(19(23)24)18(13-9-11-14(20)12-10-13)21-22(16)15-7-4-3-5-8-15/h3-5,7-12,16-17H,2,6H2,1H3,(H,23,24).
What are the key properties of 5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid?
5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-phenyl-3-propyl-3,4-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 71227865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).