3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid

C19H17FN2O2 — CID 3796959

IUPAC3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)c(-c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C19H17FN2O2/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/h3-5,7-12H,2,6H2,1H3,(H,23,24)
InChIKeyXXHPZMKLMCTYQL-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.33
Rot. Bonds5

About 3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid

3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid (PubChem CID 3796959) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid
PubChem CID3796959
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)c(-c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C19H17FN2O2/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/h3-5,7-12H,2,6H2,1H3,(H,23,24)
InChIKeyXXHPZMKLMCTYQL-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-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

Related Compounds

1-(4-chlorophenyl)-3-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid
CID 3796958
1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3844950
1-(3-bromophenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3875858
3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid
CID 42819806
3-(4-bromophenyl)-1-(4-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3795495
3-(3,4-dichlorophenyl)-1-(4-methylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3798978
1-(3-chlorophenyl)-3-(3,4-dihydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3768731
1-(3-chlorophenyl)-3-(4-nitrophenyl)-5-propylpyrazole-4-carboxylic acid
CID 101091516
5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid
CID 12826132
1-(4-tert-butylphenyl)-3-(3,4-dihydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3379091
3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid
CID 3846496
1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide
CID 143069487

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid (CID 3796959) is 3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid is CCCc1c(C(=O)O)c(-c2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid?
The InChIKey is XXHPZMKLMCTYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/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/h3-5,7-12H,2,6H2,1H3,(H,23,24).
What are the key properties of 3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid?
3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid has a molecular weight of 324.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3796959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).