3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid

C19H17FN2O2 — CID 91871983

IUPAC3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
SMILESCc1ccc(-n2cc(CCC(=O)O)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2O2/c1-13-2-9-17(10-3-13)22-12-15(6-11-18(23)24)19(21-22)14-4-7-16(20)8-5-14/h2-5,7-10,12H,6,11H2,1H3,(H,23,24)
InChIKeyPBYHCQHIQGLWDM-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.00
Rot. Bonds5

About 3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid

3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid (PubChem CID 91871983) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
PubChem CID91871983
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
SMILESCc1ccc(-n2cc(CCC(=O)O)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2O2/c1-13-2-9-17(10-3-13)22-12-15(6-11-18(23)24)19(21-22)14-4-7-16(20)8-5-14/h2-5,7-10,12H,6,11H2,1H3,(H,23,24)
InChIKeyPBYHCQHIQGLWDM-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]propanoic acid
CID 91871978
3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871952
3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871950
[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910918
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871979
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol
CID 99938045
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 25486900
(2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol
CID 95870427
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046242
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
(2-amino-2-oxoethyl) 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 7726954

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid (CID 91871983) is 3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid is Cc1ccc(-n2cc(CCC(=O)O)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid?
The InChIKey is PBYHCQHIQGLWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-13-2-9-17(10-3-13)22-12-15(6-11-18(23)24)19(21-22)14-4-7-16(20)8-5-14/h2-5,7-10,12H,6,11H2,1H3,(H,23,24).
What are the key properties of 3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid?
3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid has a molecular weight of 324.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 91871983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).