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

C19H17FN2O3 — CID 91871952

IUPAC3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
SMILESCOc1ccc(-c2nn(-c3ccc(F)cc3)cc2CCC(=O)O)cc1
InChIInChI=1S/C19H17FN2O3/c1-25-17-9-2-13(3-10-17)19-14(4-11-18(23)24)12-22(21-19)16-7-5-15(20)6-8-16/h2-3,5-10,12H,4,11H2,1H3,(H,23,24)
InChIKeyCKAAMBPMMATIAT-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.70
Rot. Bonds6

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

3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid (PubChem CID 91871952) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
PubChem CID91871952
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
SMILESCOc1ccc(-c2nn(-c3ccc(F)cc3)cc2CCC(=O)O)cc1
InChIInChI=1S/C19H17FN2O3/c1-25-17-9-2-13(3-10-17)19-14(4-11-18(23)24)12-22(21-19)16-7-5-15(20)6-8-16/h2-3,5-10,12H,4,11H2,1H3,(H,23,24)
InChIKeyCKAAMBPMMATIAT-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871979
3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871983
3-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]propanoic acid
CID 91871978
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871950
3-[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 39096185
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
(E)-4-[(4-fluorophenyl)methyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobut-2-enoic acid
CID 2393249
4-[1-(4-carboxyphenyl)-4-[(4-methoxyanilino)methyl]pyrazol-3-yl]benzoic acid
CID 155808884
[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18226016
3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46295867

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid (CID 91871952) is 3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid is COc1ccc(-c2nn(-c3ccc(F)cc3)cc2CCC(=O)O)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid?
The InChIKey is CKAAMBPMMATIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-25-17-9-2-13(3-10-17)19-14(4-11-18(23)24)12-22(21-19)16-7-5-15(20)6-8-16/h2-3,5-10,12H,4,11H2,1H3,(H,23,24).
What are the key properties of 3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid?
3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid has a molecular weight of 340.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 91871952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).