3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid

C16H19FN2O3 — CID 117124339

IUPAC3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
SMILESCOc1c(CCC(=O)O)c(C(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3/c1-10(2)15-13(8-9-14(20)21)16(22-3)19(18-15)12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,20,21)
InChIKeyQTRVCXMGPHFBJR-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.16
Rot. Bonds6

About 3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid

3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid (PubChem CID 117124339) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
PubChem CID117124339
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
SMILESCOc1c(CCC(=O)O)c(C(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3/c1-10(2)15-13(8-9-14(20)21)16(22-3)19(18-15)12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,20,21)
InChIKeyQTRVCXMGPHFBJR-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic 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

3-(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117123727
3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
CID 117123755
3-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117124649
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine
CID 117123906
1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid
CID 117124282
1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117124258
(3R,5R)-7-[1,5-bis(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyheptanoic acid
CID 54277207
2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid
CID 117123695
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042703
3-[5-(4-fluorophenyl)-6-propan-2-yl-2H-pyrrolo[2,3-f]benzotriazol-7-yl]propanoic acid
CID 146522088
N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide
CID 46042678

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid (CID 117124339) is 3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid is COc1c(CCC(=O)O)c(C(C)C)nn1-c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid?
The InChIKey is QTRVCXMGPHFBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-10(2)15-13(8-9-14(20)21)16(22-3)19(18-15)12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid?
3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid has a molecular weight of 306.34 g/mol, XLogP of 3.16, 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)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid is sourced from PubChem (CID 117124339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).