4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid

C20H19FN2O2 — CID 71453563

IUPAC4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid
SMILESCC(C)c1[nH]nc(C(=O)O)c1Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H19FN2O2/c1-12(2)18-17(19(20(24)25)23-22-18)11-13-4-3-5-15(10-13)14-6-8-16(21)9-7-14/h3-10,12H,11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyHBPMBMOLSLNPEH-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.63
Rot. Bonds5

About 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid

4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid (PubChem CID 71453563) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid
PubChem CID71453563
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid
SMILESCC(C)c1[nH]nc(C(=O)O)c1Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H19FN2O2/c1-12(2)18-17(19(20(24)25)23-22-18)11-13-4-3-5-15(10-13)14-6-8-16(21)9-7-14/h3-10,12H,11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyHBPMBMOLSLNPEH-UHFFFAOYSA-N
XLogP4.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid (CID 71453563) is 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid is CC(C)c1[nH]nc(C(=O)O)c1Cc1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid?
The InChIKey is HBPMBMOLSLNPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-12(2)18-17(19(20(24)25)23-22-18)11-13-4-3-5-15(10-13)14-6-8-16(21)9-7-14/h3-10,12H,11H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid?
4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid has a molecular weight of 338.38 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 71453563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).